N2,N2,3-trimethyl-N1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]butane-1,2-diamine

Systemtic Name: N2,N2,3-trimethyl-N1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]butane-1,2-diamine Openeye Name: N2,N2,3-trimethyl-N1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]butane-1,2-diamine CAS Name: N2,N2,3-trimethyl-N1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]butane-1,2-diamine IUPAC Name: 2-N,2-N,3-trimethyl-1-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]butane-1,2-diamine Traditional Name: dimethyl-[2-methyl-1-[[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]methyl]propyl]amine Formula: C19H32N4O4S MolecularWeight: 412.54678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C(C)C)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C(C)C)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H32N4O4S/c1-14(2)19(21(4)5)13-20-17-7-6-16(12-18(17)23(24)25)28(26,27)22-10-8-15(3)9-11-22/h6-7,12,14-15,19-20H,8-11,13H2,1-5H3