4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylic acid Openeye Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carboxylic acid CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-bromonaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylic acid Traditional Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carboxylic acid Formula: C26H27BrN4O5S MolecularWeight: 587.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

InChI

InChI=1S/C26H27BrN4O5S/c27-21-3-1-20-16-23(4-2-19(20)15-21)37(35,36)30-13-14-31(24(17-30)26(33)34)25(32)18-7-11-29(12-8-18)22-5-9-28-10-6-22/h1-6,9-10,15-16,18,24H,7-8,11-14,17H2,(H,33,34)