dimethyl 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]nipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H26N4O7S/c1-12-18(13(2)24-23-12)33(29,30)25-7-5-6-14(11-25)19(26)22-17-9-15(20(27)31-3)8-16(10-17)21(28)32-4/h8-10,14H,5-7,11H2,1-4H3,(H,22,26)(H,23,24)