N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanamide IUPAC Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Traditional Name: N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-3-[[(E)-3-phenylacryloyl]amino]propionamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCNC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C25H31N3O4S/c1-19-16-20(2)18-28(17-19)33(31,32)23-11-9-22(10-12-23)27-25(30)14-15-26-24(29)13-8-21-6-4-3-5-7-21/h3-13,19-20H,14-18H2,1-2H3,(H,26,29)(H,27,30)/b13-8+