4-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazino]sulfonylbenzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H25N3O4S2/c22-20(25)15-6-8-17(9-7-15)30(27,28)24-12-10-23(11-13-24)21(26)19-14-16-4-2-1-3-5-18(16)29-19/h6-9,14H,1-5,10-13H2,(H2,22,25)