(4-methylphenyl) 3-(propan-2-ylamino)benzenesulfonate

Systemtic Name: (4-methylphenyl) 3-(propan-2-ylamino)benzenesulfonate Openeye Name: p-tolyl 3-(isopropylamino)benzenesulfonate CAS Name: 3-(propan-2-ylamino)benzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(propan-2-ylamino)benzenesulfonate Traditional Name: 3-(isopropylamino)benzenesulfonic acid p-tolyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S/c1-12(2)17-14-5-4-6-16(11-14)21(18,19)20-15-9-7-13(3)8-10-15/h4-12,17H,1-3H3