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

Systemtic Name: N-ethylsulfonyl-4-[(phenylmethyl)amino]-3-(4-phenylpiperidin-1-yl)carbonyl-thieno[3,4-b]pyridine-7-carboxamide Openeye Name: 4-(benzylamino)-N-ethylsulfonyl-3-(4-phenylpiperidine-1-carbonyl)thieno[3,4-b]pyridine-7-carboxamide CAS Name: N-ethylsulfonyl-3-[oxo-(4-phenyl-1-piperidinyl)methyl]-4-[(phenylmethyl)amino]-7-thieno[3,4-b]pyridinecarboxamide IUPAC Name: 4-(benzylamino)-N-ethylsulfonyl-3-(4-phenylpiperidine-1-carbonyl)thieno[3,4-b]pyridine-7-carboxamide Traditional Name: 4-(benzylamino)-N-esyl-3-(4-phenylpiperidine-1-carbonyl)thieno[3,4-b]pyridine-7-carboxamide Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=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

CCS(=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/C29H30N4O4S2/c1-2-39(36,37)32-28(34)27-26-24(19-38-27)25(30-17-20-9-5-3-6-10-20)23(18-31-26)29(35)33-15-13-22(14-16-33)21-11-7-4-8-12-21/h3-12,18-19,22,30H,2,13-17H2,1H3,(H,32,34)