N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O5S2/c1-30(26,27)18-7-8-19(22)20(15-18)23-21(25)17-9-12-24(13-10-17)31(28,29)14-11-16-5-3-2-4-6-16/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,23,25)/b14-11+