[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-oxobutanoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(2-naphthylsulfonyl)piperazino]butyric acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H31N3O6S/c1-21-6-8-22(9-7-21)19-29-26(32)20-37-28(34)13-12-27(33)30-14-16-31(17-15-30)38(35,36)25-11-10-23-4-2-3-5-24(23)18-25/h2-11,18H,12-17,19-20H2,1H3,(H,29,32)