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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-N-p-anisyl-benzamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H26N2O4S/c1-26(17-19-10-12-23(31-2)13-11-19)25(28)21-8-5-9-24(16-21)32(29,30)27-15-14-20-6-3-4-7-22(20)18-27/h3-13,16H,14-15,17-18H2,1-2H3