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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-methyl-2-imidazolyl)-phenylmethyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26N4O3S/c1-30-17-15-28-26(30)25(21-9-3-2-4-10-21)29-27(32)22-12-7-13-24(18-22)35(33,34)31-16-14-20-8-5-6-11-23(20)19-31/h2-13,15,17-18,25H,14,16,19H2,1H3,(H,29,32)