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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

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