1-methylsulfonyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]isonipecotamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C21H25N3O4S2/c1-30(27,28)24-10-7-16(8-11-24)20(25)22-18-5-4-15-6-9-23(14-17(15)13-18)21(26)19-3-2-12-29-19/h2-5,12-13,16H,6-11,14H2,1H3,(H,22,25)