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

Systemtic Name: methyl 4-[[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-(p-tolylsulfonyl)piperazine-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[(4-tosylpiperazine-1-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-16-3-9-19(10-4-16)30(27,28)24-13-11-23(12-14-24)21(26)22-15-17-5-7-18(8-6-17)20(25)29-2/h3-10H,11-15H2,1-2H3,(H,22,26)