3-[[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]amino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]amino]-3H-2-benzofuran-1-one Openeye Name: 3-[4-[(4-benzyl-1-piperidyl)sulfonyl]anilino]-3H-isobenzofuran-1-one CAS Name: 3-[4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]anilino]-3H-isobenzofuran-1-one IUPAC Name: 3-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-3H-2-benzofuran-1-one Traditional Name: 3-[4-(4-benzylpiperidino)sulfonylanilino]phthalide Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C26H26N2O4S/c29-26-24-9-5-4-8-23(24)25(32-26)27-21-10-12-22(13-11-21)33(30,31)28-16-14-20(15-17-28)18-19-6-2-1-3-7-19/h1-13,20,25,27H,14-18H2