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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-(4-methoxyphenyl)propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O4S/c1-28-21-10-7-18(8-11-21)9-12-22(25)23-14-4-16-29(26,27)24-15-13-19-5-2-3-6-20(19)17-24/h2-3,5-8,10-11H,4,9,12-17H2,1H3,(H,23,25)