N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-esyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H29N3O4S/c1-5-31(29,30)26-14-19-12-7-6-11-18(19)13-20(26)23(28)25(4)15-21(27)24-22-16(2)9-8-10-17(22)3/h6-12,20H,5,13-15H2,1-4H3,(H,24,27)