[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C24H22ClN3O5S MolecularWeight: 499.96658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C24H22ClN3O5S/c25-20-5-1-3-17-4-2-6-21(24(17)20)34-16-23(30)33-15-22(29)27-13-11-26(12-14-27)18-7-9-19(10-8-18)28(31)32/h1-10H,11-16H2