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

Systemtic Name: 5-bromanyl-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole Openeye Name: 5-bromo-3-[(4-methylpiperazin-1-yl)methyl]-1-(p-tolylsulfonyl)indole CAS Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]indole IUPAC Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole Traditional Name: 5-bromo-3-[(4-methylpiperazino)methyl]-1-tosyl-indole Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S/c1-16-3-6-19(7-4-16)28(26,27)25-15-17(14-24-11-9-23(2)10-12-24)20-13-18(22)5-8-21(20)25/h3-8,13,15H,9-12,14H2,1-2H3