(5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-methylbenzoate

Systemtic Name: (5-azanyl-1-naphthalen-2-ylsulfonyl-pyrazol-3-yl) 2-methylbenzoate Openeye Name: [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-amino-1-(2-naphthalenylsulfonyl)-3-pyrazolyl] ester IUPAC Name: (5-amino-1-naphthalen-2-ylsulfonylpyrazol-3-yl) 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [5-amino-1-(2-naphthylsulfonyl)pyrazol-3-yl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=NN(C(=C2)N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17N3O4S/c1-14-6-2-5-9-18(14)21(25)28-20-13-19(22)24(23-20)29(26,27)17-11-10-15-7-3-4-8-16(15)12-17/h2-13H,22H2,1H3