N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1H-indol-3-yl)butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1H-indol-3-yl)butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1H-indol-3-yl)butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(1H-indol-3-yl)butanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(1H-indol-3-yl)butanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(1H-indol-3-yl)butyramide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O4S/c1-32-24-14-13-20(33(30,31)28-15-6-2-3-7-16-28)17-23(24)27-25(29)12-8-9-19-18-26-22-11-5-4-10-21(19)22/h4-5,10-11,13-14,17-18,26H,2-3,6-9,12,15-16H2,1H3,(H,27,29)