(3S)-N-(3-acetamido-2-methyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(3-acetamido-2-methyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3-acetamido-2-methyl-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(3-acetamido-2-methylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(3-acetamido-2-methylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-acetamido-2-methyl-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C(=CC=C3)NC(=O)C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C(=CC=C3)NC(=O)C)C

InChI

InChI=1S/C21H25N3O4S/c1-4-29(27,28)24-13-17-9-6-5-8-16(17)12-20(24)21(26)23-19-11-7-10-18(14(19)2)22-15(3)25/h5-11,20H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/t20-/m0/s1