4-[4-[4-(cyclopropylcarbonylamino)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[4-(cyclopropylcarbonylamino)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[4-(cyclopropanecarbonylamino)benzoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[4-(cyclopropanecarbonylamino)benzoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[4-(cyclopropanecarbonylamino)benzoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H25N5O5S/c1-24-13-17(12-18(24)19(22)27)32(30,31)26-10-8-25(9-11-26)21(29)15-4-6-16(7-5-15)23-20(28)14-2-3-14/h4-7,12-14H,2-3,8-11H2,1H3,(H2,22,27)(H,23,28)