[2-(methylamino)-5-nitro-phenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(methylamino)-5-nitro-phenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2-(methylamino)-5-nitro-phenyl]-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]methanone CAS Name: [2-(methylamino)-5-nitrophenyl]-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: [2-(methylamino)-5-nitrophenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(methylamino)-5-nitro-phenyl]-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]methanone Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C17H20N4O5S2/c1-12-3-6-16(27-12)28(25,26)20-9-7-19(8-10-20)17(22)14-11-13(21(23)24)4-5-15(14)18-2/h3-6,11,18H,7-10H2,1-2H3