1-methyl-4-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[3-[[anilino(oxo)methyl]amino]-1-oxopropyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[3-(phenylcarbamoylamino)propanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[3-(phenylcarbamoylamino)propanoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C20H26N6O5S MolecularWeight: 462.52264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H26N6O5S/c1-24-14-16(13-17(24)19(21)28)32(30,31)26-11-9-25(10-12-26)18(27)7-8-22-20(29)23-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,21,28)(H2,22,23,29)