3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]benzenesulfonamide

Systemtic Name: 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]benzenesulfonamide Openeye Name: 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]benzenesulfonamide CAS Name: 3-methyl-N-[5-(4-methyl-1-piperazinyl)-2-nitrophenyl]benzenesulfonamide IUPAC Name: 3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]benzenesulfonamide Traditional Name: 3-methyl-N-[5-(4-methylpiperazino)-2-nitro-phenyl]benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-14-4-3-5-16(12-14)27(25,26)19-17-13-15(6-7-18(17)22(23)24)21-10-8-20(2)9-11-21/h3-7,12-13,19H,8-11H2,1-2H3