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

Systemtic Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-1-phenyl-methanesulfonamide CAS Name: N-[1-[3-[4-(aminomethyl)phenyl]-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-1-phenylmethanesulfonamide IUPAC Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-1-phenylmethanesulfonamide Traditional Name: N-[1-[3-[4-(aminomethyl)phenyl]propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-1-phenyl-methanesulfonamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)CN

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)CN

InChI

InChI=1S/C26H29N3O3S/c27-18-21-10-8-20(9-11-21)12-15-26(30)29-16-4-7-23-17-24(13-14-25(23)29)28-33(31,32)19-22-5-2-1-3-6-22/h1-3,5-6,8-11,13-14,17,28H,4,7,12,15-16,18-19,27H2