methyl 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-2-ylphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-2-ylphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(2-pyridyl)benzoyl]piperazin-2-yl]acetate CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[oxo-[4-(2-pyridinyl)phenyl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-2-ylbenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(2-pyridyl)benzoyl]piperazin-2-yl]acetic acid methyl ester Formula: C29H26ClN3O5S MolecularWeight: 564.05184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)CC1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C29H26ClN3O5S/c1-38-28(34)18-25-19-32(39(36,37)26-12-10-22-16-24(30)11-9-23(22)17-26)14-15-33(25)29(35)21-7-5-20(6-8-21)27-4-2-3-13-31-27/h2-13,16-17,25H,14-15,18-19H2,1H3