2-chloranyl-4-[(2-methylphenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(2-methylphenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]-(o-tolylmethyl)amino]benzonitrile CAS Name: 2-chloro-4-[(2-methylphenyl)methyl-[(3S)-1-methylsulfonyl-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(2-methylphenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[[(3S)-1-mesylpyrrolidin-3-yl]-(2-methylbenzyl)amino]benzonitrile Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2CCN(C2)S(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC=CC=C1CN([C@H]2CCN(C2)S(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-15-5-3-4-6-17(15)13-24(18-8-7-16(12-22)20(21)11-18)19-9-10-23(14-19)27(2,25)26/h3-8,11,19H,9-10,13-14H2,1-2H3/t19-/m0/s1