1-(azepan-1-yl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-(4-methylphenyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-(3-tosylindol-1-yl)ethanone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-18-10-12-19(13-11-18)29(27,28)22-16-25(21-9-5-4-8-20(21)22)17-23(26)24-14-6-2-3-7-15-24/h4-5,8-13,16H,2-3,6-7,14-15,17H2,1H3