N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-(m-tolyl)-2-nitro-aniline CAS Name: N-(3-methylphenyl)-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-(m-tolyl)amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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