2-azanyl-5-(4-propan-2-ylphenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(4-propan-2-ylphenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-amino-5-(4-isopropylbenzoyl)benzenesulfonic acid CAS Name: 2-amino-5-[oxo-(4-propan-2-ylphenyl)methyl]benzenesulfonic acid IUPAC Name: 2-amino-5-(4-propan-2-ylbenzoyl)benzenesulfonic acid Traditional Name: 2-amino-5-cumoyl-besylic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C16H17NO4S/c1-10(2)11-3-5-12(6-4-11)16(18)13-7-8-14(17)15(9-13)22(19,20)21/h3-10H,17H2,1-2H3,(H,19,20,21)