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

Systemtic Name: N2,N2-diethyl-4-methyl-N1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pentane-1,2-diamine Openeye Name: N2,N2-diethyl-4-methyl-N1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pentane-1,2-diamine CAS Name: N2,N2-diethyl-4-methyl-N1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]pentane-1,2-diamine IUPAC Name: 2-N,2-N-diethyl-4-methyl-1-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]pentane-1,2-diamine Traditional Name: diethyl-[3-methyl-1-[[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]methyl]butyl]amine Formula: C21H37N5O4S MolecularWeight: 455.61458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N5O4S/c1-6-24(7-2)18(14-17(3)4)16-22-20-9-8-19(15-21(20)26(27)28)31(29,30)25-12-10-23(5)11-13-25/h8-9,15,17-18,22H,6-7,10-14,16H2,1-5H3