5-[2-azanyl-5-(phenylmethoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-(phenylmethoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(benzyloxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-(phenylmethoxycarbonylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(phenylmethoxycarbonylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(benzyloxycarbonylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C21H20N2O7S2 MolecularWeight: 476.5227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)OCC3=CC=CC=C3)N)S(=O)(=O)O

InChI

InChI=1S/C21H20N2O7S2/c1-14-7-9-17(12-19(14)32(27,28)29)31(25,26)20-11-16(8-10-18(20)22)23-21(24)30-13-15-5-3-2-4-6-15/h2-12H,13,22H2,1H3,(H,23,24)(H,27,28,29)