(2-chloranyl-5-methyl-phenyl) 4-(2-azanylethanoylamino)benzenesulfonate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-(2-azanylethanoylamino)benzenesulfonate Openeye Name: (2-chloro-5-methyl-phenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate CAS Name: 4-[(2-amino-1-oxoethyl)amino]benzenesulfonic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate Traditional Name: 4-(glycylamino)benzenesulfonic acid (2-chloro-5-methyl-phenyl) ester Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

InChI

InChI=1S/C15H15ClN2O4S/c1-10-2-7-13(16)14(8-10)22-23(20,21)12-5-3-11(4-6-12)18-15(19)9-17/h2-8H,9,17H2,1H3,(H,18,19)