2-[cycloheptyl(methyl)amino]-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[cycloheptyl(methyl)amino]-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[cycloheptyl(methyl)amino]-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[cycloheptyl(methyl)amino]-1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[cycloheptyl(methyl)amino]-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[cycloheptyl(methyl)amino]-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC)C3CCCCCC3

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC)C3CCCCCC3

InChI

InChI=1S/C22H35N3O5S/c1-23(18-8-6-4-5-7-9-18)17-22(26)24-12-14-25(15-13-24)31(27,28)21-16-19(29-2)10-11-20(21)30-3/h10-11,16,18H,4-9,12-15,17H2,1-3H3