[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidinyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazino)methanone Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H31N3O5S/c1-4-21-10-12-22(13-11-21)20(24)16-6-5-9-23(15-16)29(25,26)17-7-8-18(27-2)19(14-17)28-3/h7-8,14,16H,4-6,9-13,15H2,1-3H3/t16-/m0/s1