N-[3-(3-methylphenoxy)propyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(3-methylphenoxy)propyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-17-8-5-9-18(16-17)27-15-7-13-22-21(24)20-12-6-14-23(20)28(25,26)19-10-3-2-4-11-19/h2-5,8-11,16,20H,6-7,12-15H2,1H3,(H,22,24)