[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(4-phenethylpiperidin-1-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(4-phenethylpiperidin-1-yl)methanone Openeye Name: (4-phenethyl-1-piperidyl)-[4-(p-tolylsulfonylmethyl)phenyl]methanone CAS Name: [4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(4-phenethyl-1-piperidinyl)methanone IUPAC Name: [4-[(4-methylphenyl)sulfonylmethyl]phenyl]-(4-phenethylpiperidin-1-yl)methanone Traditional Name: (4-phenethylpiperidino)-[4-(tosylmethyl)phenyl]methanone Formula: C28H31NO3S MolecularWeight: 461.61564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO3S/c1-22-7-15-27(16-8-22)33(31,32)21-25-11-13-26(14-12-25)28(30)29-19-17-24(18-20-29)10-9-23-5-3-2-4-6-23/h2-8,11-16,24H,9-10,17-21H2,1H3