carbamic acid; N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1-sulfonamide

Systemtic Name: carbamic acid; N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1-sulfonamide Openeye Name: carbamic acid; N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1-sulfonamide CAS Name: carbamic acid; N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1-sulfonamide IUPAC Name: carbamic acid; N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1-sulfonamide Traditional Name: carbamic acid; N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1-sulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2C3=CC=CC=C3CCN2.C(=O)(N)O

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2C3=CC=CC=C3CCN2.C(=O)(N)O

InChI

InChI=1S/C16H18N2O3S.CH3NO2/c1-21-14-8-6-13(7-9-14)18-22(19,20)16-15-5-3-2-4-12(15)10-11-17-16;2-1(3)4/h2-9,16-18H,10-11H2,1H3;2H2,(H,3,4)