N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(4-hydroxyphenyl)methylamino]-2-methoxy-benzenesulfonamide

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(4-hydroxyphenyl)methylamino]-2-methoxy-benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(4-hydroxyphenyl)methylamino]-2-methoxy-benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-5-[(4-hydroxyphenyl)methylamino]-2-methoxybenzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(4-hydroxyphenyl)methylamino]-2-methoxybenzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-[(4-hydroxybenzyl)amino]-2-methoxy-benzenesulfonamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c1-27-18-7-4-15(21-11-14-2-5-17(24)6-3-14)10-19(18)28(25,26)22-16-8-9-23(12-16)13-20/h2-7,10,16,21-22,24H,8-9,11-12H2,1H3/t16-/m1/s1