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

Systemtic Name: [5-azanyl-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 4-tert-butylbenzoate Openeye Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-21(2,3)15-7-5-14(6-8-15)20(25)29-19-13-18(22)24(23-19)30(26,27)17-11-9-16(28-4)10-12-17/h5-13H,22H2,1-4H3