3-[(phenylmethyl)amino]-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid Openeye Name: 3-(benzylamino)-4-phenylsulfanyl-5-pyrrol-1-ylsulfonyl-benzoic acid CAS Name: 3-[(phenylmethyl)amino]-4-(phenylthio)-5-(1-pyrrolylsulfonyl)benzoic acid IUPAC Name: 3-(benzylamino)-4-phenylsulfanyl-5-pyrrol-1-ylsulfonylbenzoic acid Traditional Name: 3-(benzylamino)-4-(phenylthio)-5-pyrrol-1-ylsulfonyl-benzoic acid Formula: C24H20N2O4S2 MolecularWeight: 464.5566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N3C=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N3C=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O4S2/c27-24(28)19-15-21(25-17-18-9-3-1-4-10-18)23(31-20-11-5-2-6-12-20)22(16-19)32(29,30)26-13-7-8-14-26/h1-16,25H,17H2,(H,27,28)