4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid

Systemtic Name: 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid Openeye Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)piperidine-4-carboxylic acid CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid IUPAC Name: 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]-1-(4-pyridyl)isonipecotic acid Formula: C26H27ClN4O5S MolecularWeight: 543.03438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C26H27ClN4O5S/c27-21-3-1-20-16-23(4-2-19(20)15-21)37(35,36)31-14-13-30(24(32)17-31)18-26(25(33)34)7-11-29(12-8-26)22-5-9-28-10-6-22/h1-6,9-10,15-16H,7-8,11-14,17-18H2,(H,33,34)