N-[1-(3-cyanophenyl)-3-oxidanylidene-propan-2-yl]-1-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: N-[1-(3-cyanophenyl)-3-oxidanylidene-propan-2-yl]-1-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-2-oxo-ethyl]-1-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: N-[1-(3-cyanophenyl)-3-oxopropan-2-yl]-1-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: N-[1-(3-cyanophenyl)-3-oxopropan-2-yl]-1-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-2-keto-ethyl]-1-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C2=C(CCN1)C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC(=C3)C#N)C=O

Isomeric SMILES

COCC1C2=C(CCN1)C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC(=C3)C#N)C=O

InChI

InChI=1S/C21H23N3O4S/c1-28-14-21-20-11-19(6-5-17(20)7-8-23-21)29(26,27)24-18(13-25)10-15-3-2-4-16(9-15)12-22/h2-6,9,11,13,18,21,23-24H,7-8,10,14H2,1H3