6-methyl-2-[3-(phenylsulfonyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Systemtic Name: 6-methyl-2-[3-(phenylsulfonyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Traditional Name: 2-(3-besylpropanoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S2/c1-21-9-7-13-14(11-21)26-18(16(13)17(19)23)20-15(22)8-10-27(24,25)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,19,23)(H,20,22)