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

Systemtic Name: 2-ethylsulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[3-(isobutyrylamino)benzyl]-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)NCC3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C23H29N3O4S/c1-4-31(29,30)26-15-19-10-6-5-9-18(19)13-21(26)23(28)24-14-17-8-7-11-20(12-17)25-22(27)16(2)3/h5-12,16,21H,4,13-15H2,1-3H3,(H,24,28)(H,25,27)