5-[bis(3,3-dimethylbutyl)amino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[bis(3,3-dimethylbutyl)amino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide Openeye Name: 5-[bis(3,3-dimethylbutyl)amino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide CAS Name: 5-[bis(3,3-dimethylbutyl)amino]-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[bis(3,3-dimethylbutyl)amino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methylbenzenesulfonamide Traditional Name: 5-[bis(3,3-dimethylbutyl)amino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide Formula: C24H40N4O2S MolecularWeight: 448.665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC(C)(C)C)CCC(C)(C)C)S(=O)(=O)NC2CCN(C2)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC(C)(C)C)CCC(C)(C)C)S(=O)(=O)N[C@@H]2CCN(C2)C#N

InChI

InChI=1S/C24H40N4O2S/c1-19-8-9-21(28(14-11-23(2,3)4)15-12-24(5,6)7)16-22(19)31(29,30)26-20-10-13-27(17-20)18-25/h8-9,16,20,26H,10-15,17H2,1-7H3/t20-/m1/s1