phenyl 4-(2-azanylpropanoylamino)benzenesulfonate

Systemtic Name: phenyl 4-(2-azanylpropanoylamino)benzenesulfonate Openeye Name: phenyl 4-(2-aminopropanoylamino)benzenesulfonate CAS Name: 4-[(2-amino-1-oxopropyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-aminopropanoylamino)benzenesulfonate Traditional Name: 4-(alanylamino)benzenesulfonic acid phenyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N

InChI

InChI=1S/C15H16N2O4S/c1-11(16)15(18)17-12-7-9-14(10-8-12)22(19,20)21-13-5-3-2-4-6-13/h2-11H,16H2,1H3,(H,17,18)