N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CCCNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1CCCNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-22-25(21-31(29-22)26-12-6-3-7-13-26)11-8-17-28-27(32)24-14-18-30(19-15-24)35(33,34)20-16-23-9-4-2-5-10-23/h2-7,9-10,12-13,16,20-21,24H,8,11,14-15,17-19H2,1H3,(H,28,32)/b20-16+