N,6-dimethyl-2-[3-(phenylsulfonyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N,6-dimethyl-2-[3-(phenylsulfonyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-N,6-dimethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3-besylpropanoylamino)-N,6-dimethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-13-8-9-15-16(12-13)27-20(18(15)19(24)21-2)22-17(23)10-11-28(25,26)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,21,24)(H,22,23)