2-[4-(5-methyl-2-oxidanyl-phenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-(5-methyl-2-oxidanyl-phenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]ethanenitrile Openeye Name: 2-[4-(2-hydroxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]acetonitrile CAS Name: 2-[4-(2-hydroxy-5-methylphenyl)-1-(1-naphthalenylsulfonyl)-3-pyrrolidinyl]acetonitrile IUPAC Name: 2-[4-(2-hydroxy-5-methylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]acetonitrile Traditional Name: 2-[4-(2-hydroxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]acetonitrile Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C2CN(CC2CC#N)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)O)C2CN(CC2CC#N)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N2O3S/c1-16-9-10-22(26)20(13-16)21-15-25(14-18(21)11-12-24)29(27,28)23-8-4-6-17-5-2-3-7-19(17)23/h2-10,13,18,21,26H,11,14-15H2,1H3