methyl 4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-methoxyphenyl)sulfonylpiperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-29-18-7-9-19(10-8-18)31(27,28)24-13-11-23(12-14-24)15-20(25)22-17-5-3-16(4-6-17)21(26)30-2/h3-10H,11-15H2,1-2H3,(H,22,25)