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

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propylbenzamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-propyl-benzamide Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C=C2

Isomeric SMILES

CCCC1=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/C26H28N2O4S/c1-3-4-19-5-7-21(8-6-19)26(29)27-23-10-9-20-15-16-28(18-22(20)17-23)33(30,31)25-13-11-24(32-2)12-14-25/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,27,29)