methyl 2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(4-benzylsulfonylpiperazine-1-carbonyl)amino]benzoate CAS Name: 2-[[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-benzylsulfonylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 2-[(4-benzylsulfonylpiperazine-1-carbonyl)amino]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5S/c1-28-19(24)17-9-5-6-10-18(17)21-20(25)22-11-13-23(14-12-22)29(26,27)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,25)