1-(3-methylsulfonyl-4-phenylmethoxy-phenyl)-2-[[1-(phenylmethyl)cyclopentyl]amino]ethanone

Systemtic Name: 1-(3-methylsulfonyl-4-phenylmethoxy-phenyl)-2-[[1-(phenylmethyl)cyclopentyl]amino]ethanone Openeye Name: 2-[(1-benzylcyclopentyl)amino]-1-(4-benzyloxy-3-methylsulfonyl-phenyl)ethanone CAS Name: 1-(3-methylsulfonyl-4-phenylmethoxyphenyl)-2-[[1-(phenylmethyl)cyclopentyl]amino]ethanone IUPAC Name: 2-[(1-benzylcyclopentyl)amino]-1-(3-methylsulfonyl-4-phenylmethoxyphenyl)ethanone Traditional Name: 1-(4-benzoxy-3-mesyl-phenyl)-2-[(1-benzylcyclopentyl)amino]ethanone Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)CNC2(CCCC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)CNC2(CCCC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4S/c1-34(31,32)27-18-24(14-15-26(27)33-21-23-12-6-3-7-13-23)25(30)20-29-28(16-8-9-17-28)19-22-10-4-2-5-11-22/h2-7,10-15,18,29H,8-9,16-17,19-21H2,1H3