1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]pentan-3-one

Systemtic Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]pentan-3-one Openeye Name: 1-(benzylamino)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(p-tolylsulfonyl)pentan-3-one CAS Name: 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(4-methylphenyl)sulfonyl-1-[(phenylmethyl)amino]-3-pentanone IUPAC Name: 1-(benzylamino)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(4-methylphenyl)sulfonylpentan-3-one Traditional Name: 1-(benzylamino)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-tosyl-pentan-3-one Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C2COC(O2)(C)C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C2COC(O2)(C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C24H31NO5S/c1-18-9-11-21(12-10-18)31(27,28)14-13-20(26)15-22(23-17-29-24(2,3)30-23)25-16-19-7-5-4-6-8-19/h4-12,22-23,25H,13-17H2,1-3H3