1-(2-acetamido-2-phenyl-ethyl)-3-[4-[methyl(sulfino)amino]phenyl]pyrrolidine

Systemtic Name: 1-(2-acetamido-2-phenyl-ethyl)-3-[4-[methyl(sulfino)amino]phenyl]pyrrolidine Openeye Name: 1-(2-acetamido-2-phenyl-ethyl)-3-[4-[methyl(sulfino)amino]phenyl]pyrrolidine CAS Name: 1-(2-acetamido-2-phenylethyl)-3-[4-[methyl(sulfino)amino]phenyl]pyrrolidine IUPAC Name: 1-(2-acetamido-2-phenylethyl)-3-[4-[methyl(sulfino)amino]phenyl]pyrrolidine Traditional Name: 1-(2-acetamido-2-phenyl-ethyl)-3-[4-[methyl(sulfino)amino]phenyl]pyrrolidine Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CN1CCC(C1)C2=CC=C(C=C2)N(C)S(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CN1CCC(C1)C2=CC=C(C=C2)N(C)S(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-16(25)22-21(18-6-4-3-5-7-18)15-24-13-12-19(14-24)17-8-10-20(11-9-17)23(2)28(26)27/h3-11,19,21H,12-15H2,1-2H3,(H,22,25)(H,26,27)