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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)CN

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)CN

InChI

InChI=1S/C26H29N3O3S/c1-19-5-2-3-7-25(19)33(31,32)28-23-13-14-24-22(17-23)6-4-16-29(24)26(30)15-12-20-8-10-21(18-27)11-9-20/h2-3,5,7-11,13-14,17,28H,4,6,12,15-16,18,27H2,1H3