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

Systemtic Name: 2-[4-(2-methoxy-5-methyl-phenyl)-1-naphthalen-1-ylsulfonyl-pyrrolidin-3-yl]ethanenitrile Openeye Name: 2-[4-(2-methoxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]acetonitrile CAS Name: 2-[4-(2-methoxy-5-methylphenyl)-1-(1-naphthalenylsulfonyl)-3-pyrrolidinyl]acetonitrile IUPAC Name: 2-[4-(2-methoxy-5-methylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidin-3-yl]acetonitrile Traditional Name: 2-[4-(2-methoxy-5-methyl-phenyl)-1-(1-naphthylsulfonyl)pyrrolidin-3-yl]acetonitrile Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S/c1-17-10-11-23(29-2)21(14-17)22-16-26(15-19(22)12-13-25)30(27,28)24-9-5-7-18-6-3-4-8-20(18)24/h3-11,14,19,22H,12,15-16H2,1-2H3