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

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-5-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 5-(benzylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methyl-5-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 5-(benzylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methylbenzenesulfonamide Traditional Name: 5-(benzylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=CC=C2)S(=O)(=O)NC3CCN(C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=CC=C2)S(=O)(=O)N[C@@H]3CCN(C3)C#N

InChI

InChI=1S/C19H22N4O2S/c1-15-7-8-17(21-12-16-5-3-2-4-6-16)11-19(15)26(24,25)22-18-9-10-23(13-18)14-20/h2-8,11,18,21-22H,9-10,12-13H2,1H3/t18-/m1/s1