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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)carbonyl-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[6-benzyl-3-(3,5-dimethylpyrazole-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-morpholinosulfonyl-benzamide CAS Name: N-[3-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[6-benzyl-3-(3,5-dimethylpyrazole-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[6-benzyl-3-(3,5-dimethylpyrazole-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-morpholinosulfonyl-benzamide Formula: C31H33N5O5S2 MolecularWeight: 619.75422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=C(SC3=C2CCN(C3)CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=C(SC3=C2CCN(C3)CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6)C

InChI

InChI=1S/C31H33N5O5S2/c1-21-18-22(2)36(33-21)31(38)28-26-12-13-34(19-23-6-4-3-5-7-23)20-27(26)42-30(28)32-29(37)24-8-10-25(11-9-24)43(39,40)35-14-16-41-17-15-35/h3-11,18H,12-17,19-20H2,1-2H3,(H,32,37)