methyl 4-[3-[naphthalen-2-ylmethyl(naphthalen-2-ylsulfonyl)amino]phenyl]-4-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: methyl 4-[3-[naphthalen-2-ylmethyl(naphthalen-2-ylsulfonyl)amino]phenyl]-4-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: methyl 2-benzyl-4-[3-[2-naphthylmethyl(2-naphthylsulfonyl)amino]phenyl]-4-oxo-butanoate CAS Name: 4-[3-[2-naphthalenylmethyl(2-naphthalenylsulfonyl)amino]phenyl]-4-oxo-2-(phenylmethyl)butanoic acid methyl ester IUPAC Name: methyl 2-benzyl-4-[3-[naphthalen-2-ylmethyl(naphthalen-2-ylsulfonyl)amino]phenyl]-4-oxobutanoate Traditional Name: 2-benzyl-4-keto-4-[3-[2-naphthylmethyl(2-naphthylsulfonyl)amino]phenyl]butyric acid methyl ester Formula: C39H33NO5S MolecularWeight: 627.74802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C39H33NO5S/c1-45-39(42)35(22-28-10-3-2-4-11-28)26-38(41)34-16-9-17-36(24-34)40(27-29-18-19-30-12-5-7-14-32(30)23-29)46(43,44)37-21-20-31-13-6-8-15-33(31)25-37/h2-21,23-25,35H,22,26-27H2,1H3