(2,3-dimethylphenyl) 4-(2-azanylethanoylamino)benzenesulfonate

Systemtic Name: (2,3-dimethylphenyl) 4-(2-azanylethanoylamino)benzenesulfonate Openeye Name: (2,3-dimethylphenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate CAS Name: 4-[(2-amino-1-oxoethyl)amino]benzenesulfonic acid (2,3-dimethylphenyl) ester IUPAC Name: (2,3-dimethylphenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate Traditional Name: 4-(glycylamino)benzenesulfonic acid (2,3-dimethylphenyl) ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-11-4-3-5-15(12(11)2)22-23(20,21)14-8-6-13(7-9-14)18-16(19)10-17/h3-9H,10,17H2,1-2H3,(H,18,19)