N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-isopropylsulfonyl-benzamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-propan-2-ylsulfonylbenzamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-isopropylsulfonyl-benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C20H22N2O3S2/c1-13(2)27(24,25)15-8-6-7-14(11-15)19(23)22-20-17(12-21)16-9-4-3-5-10-18(16)26-20/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,22,23)