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

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylic acid hydrochloride Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)piperidine-2-carboxylic acid hydrochloride CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinecarboxylic acid hydrochloride IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidine-2-carboxylic acid hydrochloride Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)pipecolinic acid hydrochloride Formula: C26H28Cl2N4O5S MolecularWeight: 579.49532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5.Cl

Isomeric SMILES

C1CN(C(CC1(CN2CCNCC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5.Cl

InChI

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