ethyl 4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate

Systemtic Name: ethyl 4-(6-bromanylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate Openeye Name: ethyl 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carboxylate CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-bromonaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carboxylic acid ethyl ester Formula: C28H31BrN4O5S MolecularWeight: 615.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C28H31BrN4O5S/c1-2-38-28(35)26-19-32(39(36,37)25-6-4-21-17-23(29)5-3-22(21)18-25)15-16-33(26)27(34)20-9-13-31(14-10-20)24-7-11-30-12-8-24/h3-8,11-12,17-18,20,26H,2,9-10,13-16,19H2,1H3