1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]hexan-3-one

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]hexan-3-one Openeye Name: 5-(benzylamino)-1-(p-tolylsulfonyl)hexan-3-one CAS Name: 1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]-3-hexanone IUPAC Name: 5-(benzylamino)-1-(4-methylphenyl)sulfonylhexan-3-one Traditional Name: 5-(benzylamino)-1-tosyl-hexan-3-one Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)CC(C)NCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO3S/c1-16-8-10-20(11-9-16)25(23,24)13-12-19(22)14-17(2)21-15-18-6-4-3-5-7-18/h3-11,17,21H,12-15H2,1-2H3