[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(1H-indol-3-yl)-1-piperidyl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-[4-(1H-indol-3-yl)-1-piperidinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(1H-indol-3-yl)piperidino]methanone Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CNC4=CC=CC=C43)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CNC4=CC=CC=C43)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H33N3O4S/c1-34-25-11-10-21(18-26(25)35(32,33)30-14-6-2-3-7-15-30)27(31)29-16-12-20(13-17-29)23-19-28-24-9-5-4-8-22(23)24/h4-5,8-11,18-20,28H,2-3,6-7,12-17H2,1H3