methyl 4-[[[4-ethanoyl-1-(4-propan-2-ylphenyl)sulfonyl-piperazin-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-ethanoyl-1-(4-propan-2-ylphenyl)sulfonyl-piperazin-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-acetyl-1-(4-isopropylphenyl)sulfonyl-piperazine-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-acetyl-1-(4-propan-2-ylphenyl)sulfonyl-2-piperazinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-acetyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[(4-acetyl-1-p-cumenylsulfonyl-piperazine-2-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=C(C=C3)C(=O)OC)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=C(C=C3)C(=O)OC)C(=O)C

InChI

InChI=1S/C25H31N3O6S/c1-17(2)20-9-11-22(12-10-20)35(32,33)28-14-13-27(18(3)29)16-23(28)24(30)26-15-19-5-7-21(8-6-19)25(31)34-4/h5-12,17,23H,13-16H2,1-4H3,(H,26,30)