N-(4-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-bromophenyl)-2-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromophenyl)-2-(3,5-dimethylisoxazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O4S/c1-13-20(14(2)29-24-13)30(27,28)25-12-16-6-4-3-5-15(16)11-19(25)21(26)23-18-9-7-17(22)8-10-18/h3-10,19H,11-12H2,1-2H3,(H,23,26)