methyl 3-azanyl-4-(phenylsulfonyl)benzoate

Systemtic Name: methyl 3-azanyl-4-(phenylsulfonyl)benzoate Openeye Name: methyl 3-amino-4-(benzenesulfonyl)benzoate CAS Name: 3-amino-4-(benzenesulfonyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(benzenesulfonyl)benzoate Traditional Name: 3-amino-4-besyl-benzoic acid methyl ester Formula: C14H13NO4S MolecularWeight: 291.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S/c1-19-14(16)10-7-8-13(12(15)9-10)20(17,18)11-5-3-2-4-6-11/h2-9H,15H2,1H3