(5-ethyl-4-methyl-thiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-ethyl-4-methyl-thiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-ethyl-4-methyl-2-thienyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-ethyl-4-methyl-2-thiophenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-ethyl-4-methylthiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-ethyl-4-methyl-2-thienyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5S2/c1-3-16-13(2)11-17(27-16)18(22)19-7-9-20(10-8-19)28(25,26)15-6-4-5-14(12-15)21(23)24/h4-6,11-12H,3,7-10H2,1-2H3