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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=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)24-13-14-26(21(2)19-24)29-27(32)23-11-9-22(10-12-23)20-30-15-17-31(18-16-30)37(34,35)25-7-5-4-6-8-25/h4-14,19H,3,15-18,20H2,1-2H3,(H,29,32)