N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H33N3O4S/c1-21-10-12-24(20-25(21)35(33,34)30-16-6-3-7-17-30)28-27(32)23-14-18-29(19-15-23)26(31)13-11-22-8-4-2-5-9-22/h2,4-5,8-13,20,23H,3,6-7,14-19H2,1H3,(H,28,32)/b13-11+