2-chloranyl-3-methyl-4-[2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-3-methyl-4-[2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-3-methyl-4-[2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]benzonitrile CAS Name: 2-chloro-3-methyl-4-[2-(3-methylsulfonylphenyl)-1-pyrrolidinyl]benzonitrile IUPAC Name: 2-chloro-3-methyl-4-[2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]benzonitrile Traditional Name: 2-chloro-4-[2-(3-mesylphenyl)pyrrolidino]-3-methyl-benzonitrile Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)C#N)N2CCCC2C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1Cl)C#N)N2CCCC2C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19ClN2O2S/c1-13-17(9-8-15(12-21)19(13)20)22-10-4-7-18(22)14-5-3-6-16(11-14)25(2,23)24/h3,5-6,8-9,11,18H,4,7,10H2,1-2H3