N2,N2,4-trimethyl-N1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pentane-1,2-diamine

Systemtic Name: N2,N2,4-trimethyl-N1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pentane-1,2-diamine Openeye Name: N2,N2,4-trimethyl-N1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pentane-1,2-diamine CAS Name: N2,N2,4-trimethyl-N1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]pentane-1,2-diamine IUPAC Name: 2-N,2-N,4-trimethyl-1-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]pentane-1,2-diamine Traditional Name: dimethyl-[3-methyl-1-[[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]methyl]butyl]amine Formula: C19H33N5O4S MolecularWeight: 427.56142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C19H33N5O4S/c1-15(2)12-16(21(3)4)14-20-18-7-6-17(13-19(18)24(25)26)29(27,28)23-10-8-22(5)9-11-23/h6-7,13,15-16,20H,8-12,14H2,1-5H3