(3S)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[2-(2,4-dimethylphenoxy)ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCOC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCCOC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H28N2O4S/c1-4-29(26,27)24-15-19-8-6-5-7-18(19)14-20(24)22(25)23-11-12-28-21-10-9-16(2)13-17(21)3/h5-10,13,20H,4,11-12,14-15H2,1-3H3,(H,23,25)/t20-/m0/s1