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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4S/c1-19(2)24(29)27-23-10-6-9-21(17-23)18-26-25(30)22-11-14-28(15-12-22)33(31,32)16-13-20-7-4-3-5-8-20/h3-10,13,16-17,19,22H,11-12,14-15,18H2,1-2H3,(H,26,30)(H,27,29)/b16-13+