4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid Formula: C26H29ClN4O4S MolecularWeight: 529.05086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(18-31)26(32)33)17-19-7-11-29(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,17-18H2,(H,32,33)