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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H31N3O5S/c1-33-21-11-13-22(14-12-21)34(31,32)28-15-5-8-19(17-28)24(29)27-23(25(30)26-20-9-10-20)16-18-6-3-2-4-7-18/h2-4,6-7,11-14,19-20,23H,5,8-10,15-17H2,1H3,(H,26,30)(H,27,29)/t19-,23+/m1/s1