N-[(3R)-1-cyanopyrrolidin-3-yl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide

Systemtic Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2,2-dimethyl-chromane-6-sulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-2,2-dimethyl-chroman-6-sulfonamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)NC3CCN(C3)C#N)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)N[C@@H]3CCN(C3)C#N)C

InChI

InChI=1S/C16H21N3O3S/c1-16(2)7-5-12-9-14(3-4-15(12)22-16)23(20,21)18-13-6-8-19(10-13)11-17/h3-4,9,13,18H,5-8,10H2,1-2H3/t13-/m1/s1