4-[4-[3-(ethoxymethyl)-4-methoxy-phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[3-(ethoxymethyl)-4-methoxy-phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[3-(ethoxymethyl)-4-methoxy-benzoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[3-(ethoxymethyl)-4-methoxyphenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[3-(ethoxymethyl)-4-methoxybenzoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[3-(ethoxymethyl)-4-methoxy-benzoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)OC

InChI

InChI=1S/C21H28N4O6S/c1-4-31-14-16-11-15(5-6-19(16)30-3)21(27)24-7-9-25(10-8-24)32(28,29)17-12-18(20(22)26)23(2)13-17/h5-6,11-13H,4,7-10,14H2,1-3H3,(H2,22,26)