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

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 3,4-dimethylbenzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H19N3O4S/c1-14-7-8-18(11-15(14)2)22(26)29-21-13-20(23)25(24-21)30(27,28)19-10-9-16-5-3-4-6-17(16)12-19/h3-13H,23H2,1-2H3