N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(2-methylpentylamino)benzenesulfonamide

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(2-methylpentylamino)benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(2-methylpentylamino)benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methyl-5-(2-methylpentylamino)benzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(2-methylpentylamino)benzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(2-methylpentylamino)benzenesulfonamide Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CNC1=CC(=C(C=C1)C)S(=O)(=O)NC2CCN(C2)C#N

Isomeric SMILES

CCCC(C)CNC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H]2CCN(C2)C#N

InChI

InChI=1S/C18H28N4O2S/c1-4-5-14(2)11-20-16-7-6-15(3)18(10-16)25(23,24)21-17-8-9-22(12-17)13-19/h6-7,10,14,17,20-21H,4-5,8-9,11-12H2,1-3H3/t14?,17-/m1/s1