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

Systemtic Name: (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-methyl-1-methylsulfonyl-indolin-5-yl)methanone CAS Name: (2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone Traditional Name: (4-benzylpiperazino)-(1-mesyl-2-methyl-indolin-5-yl)methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-17-14-20-15-19(8-9-21(20)25(17)29(2,27)28)22(26)24-12-10-23(11-13-24)16-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3