2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-allyl-2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-allyl-2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC=C

InChI

InChI=1S/C21H23BrN2O4S/c1-3-11-23-21(25)18-12-15-7-5-6-8-16(15)14-24(18)29(26,27)20-13-17(22)9-10-19(20)28-4-2/h3,5-10,13,18H,1,4,11-12,14H2,2H3,(H,23,25)