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

Systemtic Name: 4-[4-(4-butoxyphenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(4-butoxybenzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(4-butoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(4-butoxybenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(4-butoxybenzoyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C21H28N4O5S/c1-3-4-13-30-17-7-5-16(6-8-17)21(27)24-9-11-25(12-10-24)31(28,29)18-14-19(20(22)26)23(2)15-18/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,22,26)