N-[3-(3,5-dimethylpyrazol-1-yl)carbonyl-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)carbonyl-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C26H31N5O4S2 MolecularWeight: 541.68544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)N3C(=CC(=N3)C)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)N3C(=CC(=N3)C)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H31N5O4S2/c1-4-29-14-11-21-22(16-29)36-25(23(21)26(33)31-18(3)15-17(2)28-31)27-24(32)19-7-9-20(10-8-19)37(34,35)30-12-5-6-13-30/h7-10,15H,4-6,11-14,16H2,1-3H3,(H,27,32)