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

Systemtic Name: [(3S)-1-(4-ethoxy-3-methyl-phenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-1-(4-ethoxy-3-methyl-phenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-(4-ethoxy-3-methylphenyl)sulfonyl-3-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-1-(4-ethoxy-3-methyl-phenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4S/c1-4-22-11-13-23(14-12-22)21(25)18-7-6-10-24(16-18)29(26,27)19-8-9-20(28-5-2)17(3)15-19/h8-9,15,18H,4-7,10-14,16H2,1-3H3/p+1/t18-/m0/s1