methyl 3-[[1,4-bis(phenylsulfonyl)piperazin-2-yl]carbonylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[[1,4-bis(phenylsulfonyl)piperazin-2-yl]carbonylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]-2-methyl-benzoate CAS Name: 3-[[[1,4-bis(benzenesulfonyl)-2-piperazinyl]-oxomethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]-2-methylbenzoate Traditional Name: 3-[(1,4-dibesylpiperazine-2-carbonyl)amino]-2-methyl-benzoic acid methyl ester Formula: C26H27N3O7S2 MolecularWeight: 557.63848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H27N3O7S2/c1-19-22(26(31)36-2)14-9-15-23(19)27-25(30)24-18-28(37(32,33)20-10-5-3-6-11-20)16-17-29(24)38(34,35)21-12-7-4-8-13-21/h3-15,24H,16-18H2,1-2H3,(H,27,30)