N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H26ClN3O4S/c1-17-20(24)8-5-9-21(17)26-22(28)16-25-23(29)19-10-13-27(14-11-19)32(30,31)15-12-18-6-3-2-4-7-18/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,25,29)(H,26,28)/b15-12+