[5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-methylbenzoate

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-methylbenzoate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-12-4-3-5-13(10-12)18(22)26-17-11-16(19)21(20-17)27(23,24)15-8-6-14(25-2)7-9-15/h3-11H,19H2,1-2H3