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

Systemtic Name: [(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-3-piperidinyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [(3S)-1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-3-piperidyl]-(4-ethylpiperazino)methanone Formula: C20H30ClN3O4S MolecularWeight: 443.9879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)17-7-8-19(28-4-2)18(21)14-17/h7-8,14,16H,3-6,9-13,15H2,1-2H3/t16-/m0/s1