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

Systemtic Name: 5-[2-azanyl-5-(propan-2-yloxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(isopropoxycarbonylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-[[oxo(propan-2-yloxy)methyl]amino]phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(propan-2-yloxycarbonylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-[2-amino-5-(isopropoxycarbonylamino)phenyl]sulfonyl-2-methyl-besylic acid Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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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)OC(C)C)N)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S2/c1-10(2)26-17(20)19-12-5-7-14(18)16(8-12)27(21,22)13-6-4-11(3)15(9-13)28(23,24)25/h4-10H,18H2,1-3H3,(H,19,20)(H,23,24,25)