N-methylsulfonyl-4-[(phenylmethyl)amino]-3-(4-phenylpiperidin-1-yl)carbonyl-thieno[3,4-b]pyridine-7-carboxamide

Systemtic Name: N-methylsulfonyl-4-[(phenylmethyl)amino]-3-(4-phenylpiperidin-1-yl)carbonyl-thieno[3,4-b]pyridine-7-carboxamide Openeye Name: 4-(benzylamino)-N-methylsulfonyl-3-(4-phenylpiperidine-1-carbonyl)thieno[3,4-b]pyridine-7-carboxamide CAS Name: N-methylsulfonyl-3-[oxo-(4-phenyl-1-piperidinyl)methyl]-4-[(phenylmethyl)amino]-7-thieno[3,4-b]pyridinecarboxamide IUPAC Name: 4-(benzylamino)-N-methylsulfonyl-3-(4-phenylpiperidine-1-carbonyl)thieno[3,4-b]pyridine-7-carboxamide Traditional Name: 4-(benzylamino)-N-mesyl-3-(4-phenylpiperidine-1-carbonyl)thieno[3,4-b]pyridine-7-carboxamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=C2C(=CS1)C(=C(C=N2)C(=O)N3CCC(CC3)C4=CC=CC=C4)NCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)NC(=O)C1=C2C(=CS1)C(=C(C=N2)C(=O)N3CCC(CC3)C4=CC=CC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4S2/c1-38(35,36)31-27(33)26-25-23(18-37-26)24(29-16-19-8-4-2-5-9-19)22(17-30-25)28(34)32-14-12-21(13-15-32)20-10-6-3-7-11-20/h2-11,17-18,21,29H,12-16H2,1H3,(H,31,33)