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

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

CCSC(C)NC(=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

CCSC(C)NC(=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/c1-3-41-21(2)33-29(37)28-20-35(42(39,40)27-7-5-23-18-25(31)6-4-24(23)19-27)16-17-36(28)30(38)22-10-14-34(15-11-22)26-8-12-32-13-9-26/h4-9,12-13,18-19,21-22,28H,3,10-11,14-17,20H2,1-2H3,(H,33,37)