ethyl 2-methyl-3-[[4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-methyl-3-[[4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]-2-methyl-benzoate CAS Name: 3-[[[4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]-2-methylbenzoate Traditional Name: 3-[[4-[(4-besylpiperazino)methyl]benzoyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O5S/c1-3-36-28(33)25-10-7-11-26(21(25)2)29-27(32)23-14-12-22(13-15-23)20-30-16-18-31(19-17-30)37(34,35)24-8-5-4-6-9-24/h4-15H,3,16-20H2,1-2H3,(H,29,32)