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

Systemtic Name: 5-[bis(3-methylbutyl)amino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(diisopentylamino)-2-methyl-benzenesulfonamide CAS Name: 5-[bis(3-methylbutyl)amino]-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[bis(3-methylbutyl)amino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methylbenzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(diisoamylamino)-2-methyl-benzenesulfonamide Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O2S/c1-17(2)8-12-26(13-9-18(3)4)21-7-6-19(5)22(14-21)29(27,28)24-20-10-11-25(15-20)16-23/h6-7,14,17-18,20,24H,8-13,15H2,1-5H3/t20-/m1/s1