(5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N3O7S/c1-30-18-11-16(12-19(31-2)22(18)32-3)23(27)33-21-13-20(24)26(25-21)34(28,29)17-9-8-14-6-4-5-7-15(14)10-17/h4-13H,24H2,1-3H3