N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC(=O)N)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S2/c23-21(26)16-30-20-9-5-4-8-19(20)24-22(27)18-10-13-25(14-11-18)31(28,29)15-12-17-6-2-1-3-7-17/h1-9,12,15,18H,10-11,13-14,16H2,(H2,23,26)(H,24,27)/b15-12+