1-naphthalen-2-ylsulfonyl-4-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylic acid Openeye Name: 1-(2-naphthylsulfonyl)-4-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carboxylic acid CAS Name: 1-(2-naphthalenylsulfonyl)-4-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylic acid Traditional Name: 1-(2-naphthylsulfonyl)-4-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carboxylic acid Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(C(C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(C(C2)C(=O)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=NC=C5

InChI

InChI=1S/C26H28N4O5S/c31-25(20-9-13-28(14-10-20)22-7-11-27-12-8-22)29-15-16-30(24(18-29)26(32)33)36(34,35)23-6-5-19-3-1-2-4-21(19)17-23/h1-8,11-12,17,20,24H,9-10,13-16,18H2,(H,32,33)