(3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(3-acetamido-4-methoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(3-acetamido-4-methoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(3-acetamido-4-methoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)NC)OC

InChI

InChI=1S/C20H23N3O5S/c1-13(24)22-17-11-16(8-9-19(17)28-3)29(26,27)23-12-15-7-5-4-6-14(15)10-18(23)20(25)21-2/h4-9,11,18H,10,12H2,1-3H3,(H,21,25)(H,22,24)/t18-/m1/s1