5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole

Systemtic Name: 5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole Openeye Name: 5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-(p-tolylsulfonyl)indole CAS Name: 5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]indole IUPAC Name: 5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole Traditional Name: 5-methoxy-3-[(4-methylpiperazino)methyl]-1-tosyl-indole Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CN4CCN(CC4)C

InChI

InChI=1S/C22H27N3O3S/c1-17-4-7-20(8-5-17)29(26,27)25-16-18(15-24-12-10-23(2)11-13-24)21-14-19(28-3)6-9-22(21)25/h4-9,14,16H,10-13,15H2,1-3H3