N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[(1R)-1-methyl-3-phenyl-propyl]carbamoyl]propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]butan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]butan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[(1R)-1-methyl-3-phenyl-propyl]carbamoyl]propyl]-1-tosyl-isonipecotamide Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)CCC3=CC=CC=C3

InChI

InChI=1S/C28H39N3O4S/c1-20(2)26(28(33)29-22(4)12-13-23-8-6-5-7-9-23)30-27(32)24-16-18-31(19-17-24)36(34,35)25-14-10-21(3)11-15-25/h5-11,14-15,20,22,24,26H,12-13,16-19H2,1-4H3,(H,29,33)(H,30,32)/t22-,26+/m1/s1