N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(thiazol-2-ylmethylamino)benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methyl-5-(2-thiazolylmethylamino)benzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-(thiazol-2-ylmethylamino)benzenesulfonamide Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=NC=CS2)S(=O)(=O)NC3CCN(C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=NC=CS2)S(=O)(=O)N[C@@H]3CCN(C3)C#N

InChI

InChI=1S/C16H19N5O2S2/c1-12-2-3-13(19-9-16-18-5-7-24-16)8-15(12)25(22,23)20-14-4-6-21(10-14)11-17/h2-3,5,7-8,14,19-20H,4,6,9-10H2,1H3/t14-/m1/s1