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

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propanamide Traditional Name: 3-(4-benzylsulfonylpiperazino)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propionamide Formula: C24H30N4O3S2 MolecularWeight: 486.65

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3S2/c25-17-21-20-9-5-2-6-10-22(20)32-24(21)26-23(29)11-12-27-13-15-28(16-14-27)33(30,31)18-19-7-3-1-4-8-19/h1,3-4,7-8H,2,5-6,9-16,18H2,(H,26,29)