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

Systemtic Name: (3-chloranyl-4-methyl-phenyl) 4-(2-azanylethanoylamino)benzenesulfonate Openeye Name: (3-chloro-4-methyl-phenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate CAS Name: 4-[(2-amino-1-oxoethyl)amino]benzenesulfonic acid (3-chloro-4-methylphenyl) ester IUPAC Name: (3-chloro-4-methylphenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate Traditional Name: 4-(glycylamino)benzenesulfonic acid (3-chloro-4-methyl-phenyl) ester Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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