4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methyl-benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5S/c1-16-14-19(24(28)29)8-11-22(16)25-23(27)18-6-9-21(10-7-18)32(30,31)26-13-12-17-4-2-3-5-20(17)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)(H,28,29)