[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4S)-1-methylsulfonyl-4-phenyl-piperidin-3-yl]methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4S)-1-methylsulfonyl-4-phenyl-piperidin-3-yl]methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4S)-1-methylsulfonyl-4-phenyl-3-piperidyl]methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[(3S,4S)-1-methylsulfonyl-4-phenyl-3-piperidinyl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4S)-1-methylsulfonyl-4-phenylpiperidin-3-yl]methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[(3S,4S)-1-mesyl-4-phenyl-3-piperidyl]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3CN(CCC3C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)[C@@H]3CN(CC[C@@H]3C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O3S/c1-19-9-10-20(2)24(17-19)26-13-15-27(16-14-26)25(29)23-18-28(32(3,30)31)12-11-22(23)21-7-5-4-6-8-21/h4-10,17,22-23H,11-16,18H2,1-3H3/t22-,23-/m1/s1