N-[3-(3,5-dimethylpyrazol-1-yl)carbonyl-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-piperidin-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-piperidin-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-(1-piperidylsulfonyl)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-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-piperidin-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-piperidinosulfonyl-benzamide Formula: C27H33N5O4S2 MolecularWeight: 555.71202

Click to see the large picture

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)N5CCCCC5

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)N3C(=CC(=N3)C)C)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H33N5O4S2/c1-4-30-15-12-22-23(17-30)37-26(24(22)27(34)32-19(3)16-18(2)29-32)28-25(33)20-8-10-21(11-9-20)38(35,36)31-13-6-5-7-14-31/h8-11,16H,4-7,12-15,17H2,1-3H3,(H,28,33)