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

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[1-(p-tolylsulfonyl)-4-piperidyl]piperidine-4-carboxamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-(1-tosyl-4-piperidyl)isonipecotamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

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