[4-(dimethylamino)-3-nitro-phenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: [4-(dimethylamino)-3-nitrophenyl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]methanone Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S2/c1-13-4-7-17(28-13)29(26,27)21-10-8-20(9-11-21)18(23)14-5-6-15(19(2)3)16(12-14)22(24)25/h4-7,12H,8-11H2,1-3H3