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

Systemtic Name: (3S)-2-(4-acetamido-3-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-acetamido-3-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-acetamido-3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-acetamido-3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-acetamido-3-methoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-12(23)21-16-8-7-15(10-18(16)27-2)28(25,26)22-11-14-6-4-3-5-13(14)9-17(22)19(20)24/h3-8,10,17H,9,11H2,1-2H3,(H2,20,24)(H,21,23)/t17-/m0/s1