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

Systemtic Name: 2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H23N3O3S2/c22-15-17-7-4-5-9-20(17)29(26,27)24-12-10-23(11-13-24)21(25)19-14-16-6-2-1-3-8-18(16)28-19/h4-5,7,9,14H,1-3,6,8,10-13H2