N-[6-(phenylmethyl)-3-pyrrolidin-1-ylcarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[6-(phenylmethyl)-3-pyrrolidin-1-ylcarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[6-benzyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[oxo(1-pyrrolidinyl)methyl]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[6-benzyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[6-benzyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-piperidinosulfonyl-benzamide Formula: C31H36N4O4S2 MolecularWeight: 592.77194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N6CCCC6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N6CCCC6

InChI

InChI=1S/C31H36N4O4S2/c36-29(24-11-13-25(14-12-24)41(38,39)35-18-5-2-6-19-35)32-30-28(31(37)34-16-7-8-17-34)26-15-20-33(22-27(26)40-30)21-23-9-3-1-4-10-23/h1,3-4,9-14H,2,5-8,15-22H2,(H,32,36)