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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]tetradecan-3-one Openeye Name: 5-(benzylamino)-1-(p-tolylsulfonyl)tetradecan-3-one CAS Name: 1-(4-methylphenyl)sulfonyl-5-[(phenylmethyl)amino]-3-tetradecanone IUPAC Name: 5-(benzylamino)-1-(4-methylphenyl)sulfonyltetradecan-3-one Traditional Name: 5-(benzylamino)-1-tosyl-tetradecan-3-one Formula: C28H41NO3S MolecularWeight: 471.69504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(CC(=O)CCS(=O)(=O)C1=CC=C(C=C1)C)NCC2=CC=CC=C2

InChI

InChI=1S/C28H41NO3S/c1-3-4-5-6-7-8-12-15-26(29-23-25-13-10-9-11-14-25)22-27(30)20-21-33(31,32)28-18-16-24(2)17-19-28/h9-11,13-14,16-19,26,29H,3-8,12,15,20-23H2,1-2H3