2-[4-(2-hydroxyphenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-(2-hydroxyphenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]ethanenitrile Openeye Name: 2-[4-(2-hydroxyphenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]acetonitrile CAS Name: 2-[4-(2-hydroxyphenyl)-1-(1-naphthalenylsulfonyl)-3-pyrrolidinyl]acetonitrile IUPAC Name: 2-[4-(2-hydroxyphenyl)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]acetonitrile Traditional Name: 2-[4-(2-hydroxyphenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]acetonitrile Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1S(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4O)CC#N

Isomeric SMILES

C1C(C(CN1S(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4O)CC#N

InChI

InChI=1S/C22H20N2O3S/c23-13-12-17-14-24(15-20(17)19-9-3-4-10-21(19)25)28(26,27)22-11-5-7-16-6-1-2-8-18(16)22/h1-11,17,20,25H,12,14-15H2