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

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-5-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 5-(benzylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-5-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 5-(benzylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxybenzenesulfonamide Traditional Name: 5-(benzylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NCC2=CC=CC=C2)S(=O)(=O)NC3CCN(C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)NCC2=CC=CC=C2)S(=O)(=O)N[C@@H]3CCN(C3)C#N

InChI

InChI=1S/C19H22N4O3S/c1-26-18-8-7-16(21-12-15-5-3-2-4-6-15)11-19(18)27(24,25)22-17-9-10-23(13-17)14-20/h2-8,11,17,21-22H,9-10,12-13H2,1H3/t17-/m1/s1