N-[[4-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3S/c1-3-28(4-2)21-24-12-10-23(11-13-24)20-27-26(30)25-14-17-29(18-15-25)33(31,32)19-16-22-8-6-5-7-9-22/h5-13,16,19,25H,3-4,14-15,17-18,20-21H2,1-2H3,(H,27,30)/b19-16+