4-[4-[2-(2-tert-butylphenoxy)ethanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2-(2-tert-butylphenoxy)ethanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[2-(2-tert-butylphenoxy)acetyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[2-(2-tert-butylphenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[2-(2-tert-butylphenoxy)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(2-tert-butylphenoxy)acetyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C22H30N4O5S/c1-22(2,3)17-7-5-6-8-19(17)31-15-20(27)25-9-11-26(12-10-25)32(29,30)16-13-18(21(23)28)24(4)14-16/h5-8,13-14H,9-12,15H2,1-4H3,(H2,23,28)