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

Systemtic Name: methyl 4-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(4-p-cumenylsulfonylpiperazino)acetyl]amino]benzoic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-17(2)18-6-10-21(11-7-18)32(29,30)26-14-12-25(13-15-26)16-22(27)24-20-8-4-19(5-9-20)23(28)31-3/h4-11,17H,12-16H2,1-3H3,(H,24,27)