1-(azepan-1-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[1-(p-tolylsulfonyl)indol-3-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]butan-1-one Traditional Name: 1-(azepan-1-yl)-4-(1-tosylindol-3-yl)butan-1-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N2O3S/c1-20-13-15-22(16-14-20)31(29,30)27-19-21(23-10-4-5-11-24(23)27)9-8-12-25(28)26-17-6-2-3-7-18-26/h4-5,10-11,13-16,19H,2-3,6-9,12,17-18H2,1H3