4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[piperidin-4-yl(pyridin-4-yl)amino]piperazine-2-carboxylic acid

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[piperidin-4-yl(pyridin-4-yl)amino]piperazine-2-carboxylic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-[4-piperidyl(4-pyridyl)amino]piperazine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[4-piperidinyl(pyridin-4-yl)amino]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[piperidin-4-yl(pyridin-4-yl)amino]piperazine-2-carboxylic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[4-piperidyl(4-pyridyl)amino]piperazine-2-carboxylic acid Formula: C25H26ClN5O5S MolecularWeight: 544.02244

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(C2=CC=NC=C2)N3C(CN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1CNCCC1N(C2=CC=NC=C2)N3C(CN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C25H26ClN5O5S/c26-19-3-1-18-14-22(4-2-17(18)13-19)37(35,36)29-15-23(25(33)34)31(24(32)16-29)30(20-5-9-27-10-6-20)21-7-11-28-12-8-21/h1-6,9-10,13-14,21,23,28H,7-8,11-12,15-16H2,(H,33,34)