methyl 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN3O5S/c1-26-18(23)17-12-16(13-20-17)28(24,25)22-8-6-21(7-9-22)10-11-27-15-4-2-14(19)3-5-15/h2-5,12-13,20H,6-11H2,1H3