[(3S)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3S)-1-(5-chloranyl-2-ethoxy-phenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-(5-chloro-2-ethoxy-phenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H31ClN3O4S+ MolecularWeight: 444.99584

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OCC

InChI

InChI=1S/C20H30ClN3O4S/c1-3-22-10-12-23(13-11-22)20(25)16-6-5-9-24(15-16)29(26,27)19-14-17(21)7-8-18(19)28-4-2/h7-8,14,16H,3-6,9-13,15H2,1-2H3/p+1/t16-/m0/s1