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

Systemtic Name: 5-[2-azanyl-5-(phenoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(phenoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[[oxo(phenoxy)methyl]amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(phenoxycarbonylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(carbophenoxyamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)OC3=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)OC3=CC=CC=C3)N)S(=O)(=O)O

InChI

InChI=1S/C20H18N2O7S2/c1-13-7-9-16(12-18(13)31(26,27)28)30(24,25)19-11-14(8-10-17(19)21)22-20(23)29-15-5-3-2-4-6-15/h2-12H,21H2,1H3,(H,22,23)(H,26,27,28)