N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-1-mesyl-isonipecotamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H29N3O4S/c1-14(2)20(25)22-9-6-15-4-5-18(12-17(15)13-22)21-19(24)16-7-10-23(11-8-16)28(3,26)27/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,21,24)