methyl 4-[2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24ClN3O6S/c1-30-18-8-5-16(22)13-19(18)32(28,29)25-11-9-24(10-12-25)14-20(26)23-17-6-3-15(4-7-17)21(27)31-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)