N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-[dimethylamino(oxo)methyl]phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(dimethylcarbamoyl)phenyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C(=O)N(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C(=O)N(C)C

InChI

InChI=1S/C21H25N3O4S/c1-4-29(27,28)24-14-17-9-6-5-8-15(17)13-19(24)20(25)22-18-11-7-10-16(12-18)21(26)23(2)3/h5-12,19H,4,13-14H2,1-3H3,(H,22,25)