methyl 3-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzoyl]amino]benzoate CAS Name: 3-[[[3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate Traditional Name: 3-[[3-[(4-tosylpiperazino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C27H29N3O5S/c1-20-9-11-25(12-10-20)36(33,34)30-15-13-29(14-16-30)19-21-5-3-6-22(17-21)26(31)28-24-8-4-7-23(18-24)27(32)35-2/h3-12,17-18H,13-16,19H2,1-2H3,(H,28,31)