N-[2-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propylamino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propylamino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propylamino]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propylamino]ethyl]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)CNC(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)CNC(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C22H27N3O5S/c1-30-20-9-8-19-16-25(12-10-18(19)14-20)31(28,29)13-5-11-23-21(26)15-24-22(27)17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15-16H2,1H3,(H,23,26)(H,24,27)