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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1-(p-tolylsulfonyl)indole CAS Name: 1-(4-methylphenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]-5-nitroindole IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitroindole Traditional Name: 3-[(4-methylpiperazino)methyl]-5-nitro-1-tosyl-indole Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])CN4CCN(CC4)C

InChI

InChI=1S/C21H24N4O4S/c1-16-3-6-19(7-4-16)30(28,29)24-15-17(14-23-11-9-22(2)10-12-23)20-13-18(25(26)27)5-8-21(20)24/h3-8,13,15H,9-12,14H2,1-2H3