4-[3-[anthracen-2-ylsulfonyl(naphthalen-2-ylmethyl)amino]phenyl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[3-[anthracen-2-ylsulfonyl(naphthalen-2-ylmethyl)amino]phenyl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 4-[3-[2-anthrylsulfonyl(2-naphthylmethyl)amino]phenyl]-2-benzyl-4-oxo-butanoic acid CAS Name: 4-[3-[2-anthracenylsulfonyl(2-naphthalenylmethyl)amino]phenyl]-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 4-[3-[anthracen-2-ylsulfonyl(naphthalen-2-ylmethyl)amino]phenyl]-2-benzyl-4-oxobutanoic acid Traditional Name: 4-[3-[2-anthrylsulfonyl(2-naphthylmethyl)amino]phenyl]-2-benzyl-4-keto-butyric acid Formula: C42H33NO5S MolecularWeight: 663.78012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC6=CC7=CC=CC=C7C=C6C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C2=CC(=CC=C2)N(CC3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC6=CC7=CC=CC=C7C=C6C=C5)C(=O)O

InChI

InChI=1S/C42H33NO5S/c44-41(27-38(42(45)46)21-29-9-2-1-3-10-29)36-15-8-16-39(25-36)43(28-30-17-18-31-11-4-5-12-32(31)22-30)49(47,48)40-20-19-35-23-33-13-6-7-14-34(33)24-37(35)26-40/h1-20,22-26,38H,21,27-28H2,(H,45,46)