(5-nitrothiophen-2-yl)-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-2-yl)-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]methanone Openeye Name: (5-nitro-2-thienyl)-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone CAS Name: (5-nitro-2-thiophenyl)-[4-[oxo-(3,4,5-triethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-2-yl)-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone Traditional Name: (5-nitro-2-thienyl)-[4-(3,4,5-triethoxybenzoyl)piperazino]methanone Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-4-30-16-13-15(14-17(31-5-2)20(16)32-6-3)21(26)23-9-11-24(12-10-23)22(27)18-7-8-19(33-18)25(28)29/h7-8,13-14H,4-6,9-12H2,1-3H3