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

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-5-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-5-(thiazol-2-ylmethylamino)benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-5-(2-thiazolylmethylamino)benzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-5-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-5-(thiazol-2-ylmethylamino)benzenesulfonamide Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NCC2=NC=CS2)S(=O)(=O)NC3CCN(C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)NCC2=NC=CS2)S(=O)(=O)N[C@@H]3CCN(C3)C#N

InChI

InChI=1S/C16H19N5O3S2/c1-24-14-3-2-12(19-9-16-18-5-7-25-16)8-15(14)26(22,23)20-13-4-6-21(10-13)11-17/h2-3,5,7-8,13,19-20H,4,6,9-10H2,1H3/t13-/m1/s1