5-(2-chloroethylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide

Systemtic Name: 5-(2-chloroethylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide Openeye Name: 5-(2-chloroethylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide CAS Name: 5-(2-chloroethylamino)-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methylbenzenesulfonamide IUPAC Name: 5-(2-chloroethylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methylbenzenesulfonamide Traditional Name: 5-(2-chloroethylamino)-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methyl-benzenesulfonamide Formula: C14H19ClN4O2S MolecularWeight: 342.84426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O2S/c1-11-2-3-12(17-6-5-15)8-14(11)22(20,21)18-13-4-7-19(9-13)10-16/h2-3,8,13,17-18H,4-7,9H2,1H3/t13-/m1/s1