4-butoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 4-butoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 4-butoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4-butoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 4-butoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C=C2

InChI

InChI=1S/C27H30N2O5S/c1-3-4-17-34-25-9-6-21(7-10-25)27(30)28-23-8-5-20-15-16-29(19-22(20)18-23)35(31,32)26-13-11-24(33-2)12-14-26/h5-14,18H,3-4,15-17,19H2,1-2H3,(H,28,30)