4-nitro-N-(3-piperidin-1-ylcarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide

Systemtic Name: 4-nitro-N-(3-piperidin-1-ylcarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide Openeye Name: 4-nitro-N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide CAS Name: 4-nitro-N-[3-[oxo(1-piperidinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide IUPAC Name: 4-nitro-N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Traditional Name: 4-nitro-N-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c26-20(15-9-11-16(12-10-15)25(28)29)23-21-19(22(27)24-13-5-2-6-14-24)17-7-3-1-4-8-18(17)30-21/h9-12H,1-8,13-14H2,(H,23,26)