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

Systemtic Name: 2-ethylsulfonyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(isobutyrylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCNC(=O)C(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCNC(=O)C(C)C

InChI

InChI=1S/C18H27N3O4S/c1-4-26(24,25)21-12-15-8-6-5-7-14(15)11-16(21)18(23)20-10-9-19-17(22)13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,22)(H,20,23)