N-[(4-dimethylaminophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(4-dimethylaminophenyl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: dimethyl-[4-[[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]methyl]phenyl]amine Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-22(2)17-6-4-16(5-7-17)15-21-19-9-8-18(14-20(19)25(26)27)30(28,29)24-12-10-23(3)11-13-24/h4-9,14,21H,10-13,15H2,1-3H3