1-(6-chloranylpyridin-3-yl)-5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]pentan-3-one

Systemtic Name: 1-(6-chloranylpyridin-3-yl)-5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]pentan-3-one Openeye Name: 1-(benzylamino)-1-(6-chloro-3-pyridyl)-5-(p-tolylsulfonyl)pentan-3-one CAS Name: 1-(6-chloro-3-pyridinyl)-5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]-3-pentanone IUPAC Name: 1-(benzylamino)-1-(6-chloropyridin-3-yl)-5-(4-methylphenyl)sulfonylpentan-3-one Traditional Name: 1-(benzylamino)-1-(6-chloro-3-pyridyl)-5-tosyl-pentan-3-one Formula: C24H25ClN2O3S MolecularWeight: 456.9849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C2=CN=C(C=C2)Cl)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C2=CN=C(C=C2)Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C24H25ClN2O3S/c1-18-7-10-22(11-8-18)31(29,30)14-13-21(28)15-23(20-9-12-24(25)27-17-20)26-16-19-5-3-2-4-6-19/h2-12,17,23,26H,13-16H2,1H3