[2-(3-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [5-isopropyl-2-(m-tolyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(3-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-isopropyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)C)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H23N3O4S/c1-14(2)20-13-21(24(23-20)18-7-5-6-15(3)12-18)28-29(26,27)19-10-8-17(9-11-19)22-16(4)25/h5-14H,1-4H3,(H,22,25)