N-[(2S)-5-methylhexan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[4-[(E)-styryl]sulfonylpiperazino]acetamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CN1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H33N3O3S/c1-18(2)9-10-19(3)22-21(25)17-23-12-14-24(15-13-23)28(26,27)16-11-20-7-5-4-6-8-20/h4-8,11,16,18-19H,9-10,12-15,17H2,1-3H3,(H,22,25)/b16-11+/t19-/m0/s1