4-[4-[[(2,4-dimethylphenyl)carbonylamino]carbamoyl]piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[[(2,4-dimethylphenyl)carbonylamino]carbamoyl]piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-[[(2,4-dimethylbenzoyl)amino]carbamoyl]-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[[(2,4-dimethylphenyl)-oxomethyl]hydrazo]-oxomethyl]-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[[(2,4-dimethylbenzoyl)amino]carbamoyl]piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[[(2,4-dimethylbenzoyl)amino]carbamoyl]piperidino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)C

InChI

InChI=1S/C21H27N5O5S/c1-13-4-5-17(14(2)10-13)21(29)24-23-20(28)15-6-8-26(9-7-15)32(30,31)16-11-18(19(22)27)25(3)12-16/h4-5,10-12,15H,6-9H2,1-3H3,(H2,22,27)(H,23,28)(H,24,29)