N-[(2S)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H32N2O3S/c1-17(2)9-10-18(3)22-21(24)20-11-14-23(15-12-20)27(25,26)16-13-19-7-5-4-6-8-19/h4-8,13,16-18,20H,9-12,14-15H2,1-3H3,(H,22,24)/b16-13+/t18-/m0/s1