3-(1-azanyl-6-oxidanylidene-piperazin-2-yl)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-2-(oxidanylidenemethylidene)-3-(1-pyridin-4-ylpiperidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 3-(1-azanyl-6-oxidanylidene-piperazin-2-yl)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-2-(oxidanylidenemethylidene)-3-(1-pyridin-4-ylpiperidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 3-(1-amino-6-oxo-piperazin-2-yl)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-2-(oxomethylene)-3-[1-(4-pyridyl)-4-piperidyl]piperidine-4-carboxylic acid CAS Name: 3-(1-amino-6-oxo-2-piperazinyl)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methyl-2-(oxomethylidene)-3-(1-pyridin-4-yl-4-piperidinyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(1-amino-6-oxopiperazin-2-yl)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-methyl-2-(oxomethylidene)-3-(1-pyridin-4-ylpiperidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 3-(1-amino-6-keto-piperazin-2-yl)-4-[(6-chloro-2-naphthyl)sulfonyl]-2-(ketomethylene)-1-methyl-3-[1-(4-pyridyl)-4-piperidyl]isonipecotic acid Formula: C32H35ClN6O6S MolecularWeight: 667.1749

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1=C=O)(C2CCN(CC2)C3=CC=NC=C3)C4CNCC(=O)N4N)(C(=O)O)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

Isomeric SMILES

CN1CCC(C(C1=C=O)(C2CCN(CC2)C3=CC=NC=C3)C4CNCC(=O)N4N)(C(=O)O)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

InChI

InChI=1S/C32H35ClN6O6S/c1-37-15-10-31(30(42)43,46(44,45)26-5-3-21-16-24(33)4-2-22(21)17-26)32(28(37)20-40,27-18-36-19-29(41)39(27)34)23-8-13-38(14-9-23)25-6-11-35-12-7-25/h2-7,11-12,16-17,23,27,36H,8-10,13-15,18-19,34H2,1H3,(H,42,43)