3,6,6-trimethyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-5,7-dihydro-1H-indol-4-one

Systemtic Name: 3,6,6-trimethyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-5,7-dihydro-1H-indol-4-one Openeye Name: 3,6,6-trimethyl-2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-5,7-dihydro-1H-indol-4-one CAS Name: 3,6,6-trimethyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-5,7-dihydro-1H-indol-4-one IUPAC Name: 3,6,6-trimethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-5,7-dihydro-1H-indol-4-one Traditional Name: 3,6,6-trimethyl-2-(4-tosyl-1,4-diazepane-1-carbonyl)-5,7-dihydro-1H-indol-4-one Formula: C24H31N3O4S MolecularWeight: 457.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(N3)CC(CC4=O)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C4=C(N3)CC(CC4=O)(C)C)C

InChI

InChI=1S/C24H31N3O4S/c1-16-6-8-18(9-7-16)32(30,31)27-11-5-10-26(12-13-27)23(29)22-17(2)21-19(25-22)14-24(3,4)15-20(21)28/h6-9,25H,5,10-15H2,1-4H3