methyl 4-[[[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H29NO5S/c1-17-7-8-18(2)21(15-17)31(28,29)24(13-5-6-14-24)23(27)25(3)16-19-9-11-20(12-10-19)22(26)30-4/h7-12,15H,5-6,13-14,16H2,1-4H3