N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(cyclopropylamino)-2-keto-ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H31N3O5S/c1-33-21-9-11-22(12-10-21)34(31,32)28-15-13-19(14-16-28)24(29)27-23(25(30)26-20-7-8-20)17-18-5-3-2-4-6-18/h2-6,9-12,19-20,23H,7-8,13-17H2,1H3,(H,26,30)(H,27,29)/t23-/m0/s1