methyl 3-[[cyclohexyl-(1,3-dimethylpyrazol-4-yl)sulfonyl-amino]methyl]-4-methoxy-benzoate

Systemtic Name: methyl 3-[[cyclohexyl-(1,3-dimethylpyrazol-4-yl)sulfonyl-amino]methyl]-4-methoxy-benzoate Openeye Name: methyl 3-[[cyclohexyl-(1,3-dimethylpyrazol-4-yl)sulfonyl-amino]methyl]-4-methoxy-benzoate CAS Name: 3-[[cyclohexyl-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]amino]methyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[[cyclohexyl-(1,3-dimethylpyrazol-4-yl)sulfonylamino]methyl]-4-methoxybenzoate Traditional Name: 3-[[cyclohexyl-(1,3-dimethylpyrazol-4-yl)sulfonyl-amino]methyl]-4-methoxy-benzoic acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N(CC2=C(C=CC(=C2)C(=O)OC)OC)C3CCCCC3)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N(CC2=C(C=CC(=C2)C(=O)OC)OC)C3CCCCC3)C

InChI

InChI=1S/C21H29N3O5S/c1-15-20(14-23(2)22-15)30(26,27)24(18-8-6-5-7-9-18)13-17-12-16(21(25)29-4)10-11-19(17)28-3/h10-12,14,18H,5-9,13H2,1-4H3