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

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-4-oxobutanoic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(2-naphthylsulfonyl)piperazino]butyric acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C27H27Cl2N3O6S MolecularWeight: 592.49078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)OCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H27Cl2N3O6S/c28-22-7-5-21(24(29)16-22)17-30-25(33)18-38-27(35)10-9-26(34)31-11-13-32(14-12-31)39(36,37)23-8-6-19-3-1-2-4-20(19)15-23/h1-8,15-16H,9-14,17-18H2,(H,30,33)