2-[4-[(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indol-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1H-indol-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-keto-3,6,6-trimethyl-5,7-dihydro-1H-indole-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H26N4O4S/c1-15-20-17(12-23(2,3)13-18(20)28)25-21(15)22(29)26-8-10-27(11-9-26)32(30,31)19-7-5-4-6-16(19)14-24/h4-7,25H,8-13H2,1-3H3