N-(6-bromanylnaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-3-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzamide

Systemtic Name: N-(6-bromanylnaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-3-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-[(6-bromo-2-naphthyl)sulfonyl]-N-(2-ethylsulfanylethyl)-3-[4-(4-pyridyl)piperazine-1-carbonyl]benzamide CAS Name: N-[(6-bromo-2-naphthalenyl)sulfonyl]-N-[2-(ethylthio)ethyl]-3-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(6-bromonaphthalen-2-yl)sulfonyl-N-(2-ethylsulfanylethyl)-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzamide Traditional Name: N-[(6-bromo-2-naphthyl)sulfonyl]-N-[2-(ethylthio)ethyl]-3-[4-(4-pyridyl)piperazine-1-carbonyl]benzamide Formula: C31H31BrN4O4S2 MolecularWeight: 667.63624

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(C(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

Isomeric SMILES

CCSCCN(C(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Br

InChI

InChI=1S/C31H31BrN4O4S2/c1-2-41-19-18-36(42(39,40)29-9-7-23-21-27(32)8-6-24(23)22-29)31(38)26-5-3-4-25(20-26)30(37)35-16-14-34(15-17-35)28-10-12-33-13-11-28/h3-13,20-22H,2,14-19H2,1H3