3-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-1,5,6,7-tetrahydroindol-4-one

Systemtic Name: 3-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-1,5,6,7-tetrahydroindol-4-one Openeye Name: 3-methyl-2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one CAS Name: 3-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1,5,6,7-tetrahydroindol-4-one IUPAC Name: 3-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one Traditional Name: 3-methyl-2-(4-tosyl-1,4-diazepane-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(N3)CCCC4=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(N3)CCCC4=O)C

InChI

InChI=1S/C22H27N3O4S/c1-15-7-9-17(10-8-15)30(28,29)25-12-4-11-24(13-14-25)22(27)21-16(2)20-18(23-21)5-3-6-19(20)26/h7-10,23H,3-6,11-14H2,1-2H3