N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propanamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(2-thienylsulfonyl)piperazino]propionamide Formula: C21H26N4O3S3 MolecularWeight: 478.65114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O3S3/c22-15-17-16-5-2-1-3-6-18(16)30-21(17)23-19(26)8-9-24-10-12-25(13-11-24)31(27,28)20-7-4-14-29-20/h4,7,14H,1-3,5-6,8-13H2,(H,23,26)