5-[2,3-bis(oxidanyl)propylamino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[2,3-bis(oxidanyl)propylamino]-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide Openeye Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2,3-dihydroxypropylamino)-2-methyl-benzenesulfonamide CAS Name: N-[(3R)-1-cyano-3-pyrrolidinyl]-5-(2,3-dihydroxypropylamino)-2-methylbenzenesulfonamide IUPAC Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(2,3-dihydroxypropylamino)-2-methylbenzenesulfonamide Traditional Name: N-[(3R)-1-cyanopyrrolidin-3-yl]-5-(glycerylamino)-2-methyl-benzenesulfonamide Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(CO)O)S(=O)(=O)NC2CCN(C2)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(CO)O)S(=O)(=O)N[C@@H]2CCN(C2)C#N

InChI

InChI=1S/C15H22N4O4S/c1-11-2-3-12(17-7-14(21)9-20)6-15(11)24(22,23)18-13-4-5-19(8-13)10-16/h2-3,6,13-14,17-18,20-21H,4-5,7-9H2,1H3/t13-,14?/m1/s1