N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

Systemtic Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Openeye Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide CAS Name: N-[1-[3-[4-(aminomethyl)phenyl]-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide IUPAC Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Traditional Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)CN

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)CN

InChI

InChI=1S/C25H27N3O3S/c26-18-20-10-8-19(9-11-20)12-15-25(29)28-16-4-5-21-17-22(13-14-24(21)28)27-32(30,31)23-6-2-1-3-7-23/h1-3,6-11,13-14,17,27H,4-5,12,15-16,18,26H2