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

Systemtic Name: (1-azanyl-6-oxidanylidene-piperazin-2-yl) 3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-2-(oxidanylidenemethylidene)-3-(1-pyridin-4-ylpiperidin-4-yl)piperidine-4-carboxylate Openeye Name: (1-amino-6-oxo-piperazin-2-yl) 3-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-2-(oxomethylene)-3-[1-(4-pyridyl)-4-piperidyl]piperidine-4-carboxylate CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methyl-2-(oxomethylidene)-3-(1-pyridin-4-yl-4-piperidinyl)-4-piperidinecarboxylic acid (1-amino-6-oxo-2-piperazinyl) ester IUPAC Name: (1-amino-6-oxopiperazin-2-yl) 3-(6-chloronaphthalen-2-yl)sulfonyl-1-methyl-2-(oxomethylidene)-3-(1-pyridin-4-ylpiperidin-4-yl)piperidine-4-carboxylate Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-2-(ketomethylene)-1-methyl-3-[1-(4-pyridyl)-4-piperidyl]isonipecotic acid (1-amino-6-keto-piperazin-2-yl) ester 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)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)OC6CNCC(=O)N6N

Isomeric SMILES

CN1CCC(C(C1=C=O)(C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)OC6CNCC(=O)N6N

InChI

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