N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(3-fluorophenyl)methylamino]-2-methoxy-benzenesulfonamide

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(3-fluorophenyl)methylamino]-2-methoxy-benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(3-fluorophenyl)methylamino]-2-methoxy-benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-5-[(3-fluorophenyl)methylamino]-2-methoxybenzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(3-fluorophenyl)methylamino]-2-methoxybenzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(3-fluorobenzyl)amino]-2-methoxy-benzenesulfonamide Formula: C19H21FN4O3S MolecularWeight: 404.458443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O3S/c1-27-18-6-5-16(22-11-14-3-2-4-15(20)9-14)10-19(18)28(25,26)23-17-7-8-24(12-17)13-21/h2-6,9-10,17,22-23H,7-8,11-12H2,1H3/t17-/m1/s1