N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[4-(4-methylpiperidino)sulfonylphenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S/c1-21-13-19-30(20-14-21)35(33,34)25-10-8-24(9-11-25)28-27(32)23-15-17-29(18-16-23)26(31)12-7-22-5-3-2-4-6-22/h2-12,21,23H,13-20H2,1H3,(H,28,32)/b12-7+