3-chloranylsulfonyl-4-phenyl-5-[(phenylmethyl)amino]benzenecarbothioic S-acid

Systemtic Name: 3-chloranylsulfonyl-4-phenyl-5-[(phenylmethyl)amino]benzenecarbothioic S-acid Openeye Name: 3-(benzylamino)-5-chlorosulfonyl-4-phenyl-benzenecarbothioic S-acid CAS Name: 3-chlorosulfonyl-4-phenyl-5-[(phenylmethyl)amino]benzenecarbothioic S-acid IUPAC Name: 3-(benzylamino)-5-chlorosulfonyl-4-phenylbenzenecarbothioic S-acid Traditional Name: 3-(benzylamino)-5-chlorosulfonyl-4-phenyl-thiobenzoic acid Formula: C20H16ClNO3S2 MolecularWeight: 417.92894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)S)S(=O)(=O)Cl)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)S)S(=O)(=O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H16ClNO3S2/c21-27(24,25)18-12-16(20(23)26)11-17(19(18)15-9-5-2-6-10-15)22-13-14-7-3-1-4-8-14/h1-12,22H,13H2,(H,23,26)