N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-phenoxy-propanamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-phenoxy-propanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-phenoxy-propanamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-phenoxypropanamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-phenoxypropanamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-phenoxy-propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCS(=O)(=O)N1CCC2=CC=CC=C2C1)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCCS(=O)(=O)N1CCC2=CC=CC=C2C1)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17(27-20-10-3-2-4-11-20)21(24)22-13-7-15-28(25,26)23-14-12-18-8-5-6-9-19(18)16-23/h2-6,8-11,17H,7,12-16H2,1H3,(H,22,24)