4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Openeye Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(4-methoxy-3-nitrophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-methoxy-3-nitrophenyl)sulfonyl-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Traditional Name: 4-(4-methoxy-3-nitro-phenyl)sulfonyl-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6S2/c1-28-17-5-4-15(13-16(17)22(24)25)30(26,27)21-10-8-20(9-11-21)18(23)19-7-6-14-3-2-12-29-14/h2-5,12-13H,6-11H2,1H3,(H,19,23)