4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-[1-(p-tolylsulfonyl)indol-3-yl]butan-1-one CAS Name: 4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-[1-(4-methylphenyl)sulfonylindol-3-yl]butan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-(1-tosylindol-3-yl)butan-1-one Formula: C31H35N3O3S MolecularWeight: 529.6929

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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)N4CCCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3S/c1-25-15-17-28(18-16-25)38(36,37)34-24-27(29-12-5-6-13-30(29)34)11-7-14-31(35)33-20-8-19-32(21-22-33)23-26-9-3-2-4-10-26/h2-6,9-10,12-13,15-18,24H,7-8,11,14,19-23H2,1H3