4-chloranyl-5-methylsulfonyl-2-(naphthalen-1-ylmethylamino)benzoic acid

Systemtic Name: 4-chloranyl-5-methylsulfonyl-2-(naphthalen-1-ylmethylamino)benzoic acid Openeye Name: 4-chloro-5-methylsulfonyl-2-(1-naphthylmethylamino)benzoic acid CAS Name: 4-chloro-5-methylsulfonyl-2-(1-naphthalenylmethylamino)benzoic acid IUPAC Name: 4-chloro-5-methylsulfonyl-2-(naphthalen-1-ylmethylamino)benzoic acid Traditional Name: 4-chloro-5-mesyl-2-(1-naphthylmethylamino)benzoic acid Formula: C19H16ClNO4S MolecularWeight: 389.85264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CC3=CC=CC=C32)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CC3=CC=CC=C32)Cl

InChI

InChI=1S/C19H16ClNO4S/c1-26(24,25)18-9-15(19(22)23)17(10-16(18)20)21-11-13-7-4-6-12-5-2-3-8-14(12)13/h2-10,21H,11H2,1H3,(H,22,23)