2-ethylsulfonyl-N-(2-phenylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(2-phenylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(2-phenylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(2-phenylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(2-phenylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(2-phenylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-3-27(25,26)23-15-19-12-8-7-11-18(19)13-20(23)21(24)22-14-16(2)17-9-5-4-6-10-17/h4-12,16,20H,3,13-15H2,1-2H3,(H,22,24)