[4-(2-methylphenyl)piperazin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

Systemtic Name: [4-(2-methylphenyl)piperazin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone Openeye Name: (1-methylsulfonylindolin-5-yl)-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [4-(2-methylphenyl)-1-piperazinyl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone IUPAC Name: [4-(2-methylphenyl)piperazin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone Traditional Name: (1-mesylindolin-5-yl)-[4-(o-tolyl)piperazino]methanone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O3S/c1-16-5-3-4-6-19(16)22-11-13-23(14-12-22)21(25)18-7-8-20-17(15-18)9-10-24(20)28(2,26)27/h3-8,15H,9-14H2,1-2H3