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

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylic acid; methanesulfonic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)piperidine-2-carboxylic acid; methanesulfonic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinecarboxylic acid; methanesulfonic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidine-2-carboxylic acid; methanesulfonic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)pipecolinic acid; mesylic acid Formula: C27H31ClN4O8S2 MolecularWeight: 639.14004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.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

Isomeric SMILES

CS(=O)(=O)O.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

InChI

InChI=1S/C26H27ClN4O5S.CH4O3S/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;1-5(2,3)4/h1-6,8-9,13-14,23,29H,7,10-12,15-17H2,(H,33,34);1H3,(H,2,3,4)