N-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylamino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[[1-methyl-3-[4-(m-tolyl)piperazin-1-yl]propyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[4-[4-(3-methylphenyl)-1-piperazinyl]butan-2-ylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylamino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[[1-methyl-3-[4-(m-tolyl)piperazino]propyl]amino]-3-nitro-benzenesulfonamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O4S/c1-17-5-4-6-19(15-17)26-13-11-25(12-14-26)10-9-18(2)24-21-8-7-20(32(30,31)23-3)16-22(21)27(28)29/h4-8,15-16,18,23-24H,9-14H2,1-3H3