ethyl 4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(5-chloro-2-methoxy-benzyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-3-29-21(25)16-4-7-19(8-5-16)30(26,27)24-12-10-23(11-13-24)15-17-14-18(22)6-9-20(17)28-2/h4-9,14H,3,10-13,15H2,1-2H3