N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1-thiophen-2-yl-ethane-1,2-diamine

Systemtic Name: N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1-thiophen-2-yl-ethane-1,2-diamine Openeye Name: N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1-(2-thienyl)ethane-1,2-diamine CAS Name: N,N-dimethyl-N'-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-thiophen-2-ylethane-1,2-diamine IUPAC Name: N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-1-thiophen-2-ylethane-1,2-diamine Traditional Name: dimethyl-[2-[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]-1-(2-thienyl)ethyl]amine Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CS3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CS3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4S2/c1-21(2)18(19-5-4-12-29-19)14-20-16-7-6-15(13-17(16)24(25)26)30(27,28)23-10-8-22(3)9-11-23/h4-7,12-13,18,20H,8-11,14H2,1-3H3