N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]thio]ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]thio]ethyl]-4-piperidinosulfonyl-benzamide Formula: C29H31N3O4S2 MolecularWeight: 549.70414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SCCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H31N3O4S2/c1-36-23-13-9-21(10-14-23)27-28(25-7-3-4-8-26(25)31-27)37-20-17-30-29(33)22-11-15-24(16-12-22)38(34,35)32-18-5-2-6-19-32/h3-4,7-16,31H,2,5-6,17-20H2,1H3,(H,30,33)