4-(6-bromanylnaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxamide

Systemtic Name: 4-(6-bromanylnaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-1-(1-pyridin-4-ylpiperidin-4-yl)carbonyl-piperazine-2-carboxamide Openeye Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-N-(2-ethylsulfanylethyl)-1-[1-(4-pyridyl)piperidine-4-carbonyl]piperazine-2-carboxamide CAS Name: 4-[(6-bromo-2-naphthalenyl)sulfonyl]-N-[2-(ethylthio)ethyl]-1-[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxamide IUPAC Name: 4-(6-bromonaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxamide Traditional Name: 4-[(6-bromo-2-naphthyl)sulfonyl]-N-[2-(ethylthio)ethyl]-1-[1-(4-pyridyl)isonipecotoyl]piperazine-2-carboxamide Formula: C30H36BrN5O4S2 MolecularWeight: 674.67194

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=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

CCSCCNC(=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/C30H36BrN5O4S2/c1-2-41-18-13-33-29(37)28-21-35(42(39,40)27-6-4-23-19-25(31)5-3-24(23)20-27)16-17-36(28)30(38)22-9-14-34(15-10-22)26-7-11-32-12-8-26/h3-8,11-12,19-20,22,28H,2,9-10,13-18,21H2,1H3,(H,33,37)