N-methyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-methyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-methyl-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-methyl-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-methyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: N-benzyl-2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]-N-methyl-acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-19-12-14-28(15-13-19)33(31,32)23-17-27(25(30)22-11-7-6-10-21(22)23)18-24(29)26(2)16-20-8-4-3-5-9-20/h3-11,17,19H,12-16,18H2,1-2H3