(3S)-2-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

COCCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C19H22N2O5S/c1-25-10-11-26-16-6-8-17(9-7-16)27(23,24)21-13-15-5-3-2-4-14(15)12-18(21)19(20)22/h2-9,18H,10-13H2,1H3,(H2,20,22)/t18-/m0/s1