5-chloranyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methoxy-benzamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-27-19-8-7-17(21)13-18(19)20(24)22-10-4-12-28(25,26)23-11-9-15-5-2-3-6-16(15)14-23/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,22,24)