phenyl 3-azanyl-4-methyl-benzenesulfonate

Systemtic Name: phenyl 3-azanyl-4-methyl-benzenesulfonate Openeye Name: phenyl 3-amino-4-methyl-benzenesulfonate CAS Name: 3-amino-4-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-amino-4-methylbenzenesulfonate Traditional Name: 3-amino-4-methyl-benzenesulfonic acid phenyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N

InChI

InChI=1S/C13H13NO3S/c1-10-7-8-12(9-13(10)14)18(15,16)17-11-5-3-2-4-6-11/h2-9H,14H2,1H3