N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(2-bromophenyl)ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O3S/c1-17(20-9-5-6-10-21(20)23)24-22(26)19-11-14-25(15-12-19)29(27,28)16-13-18-7-3-2-4-8-18/h2-10,13,16-17,19H,11-12,14-15H2,1H3,(H,24,26)/b16-13+/t17-/m0/s1