(3S)-N-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-benzyl-2-(3-methoxypropylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-benzyl-2-keto-2-(3-methoxypropylamino)ethyl]-1-besyl-nipecotamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5S/c1-33-17-9-15-26-25(30)23(18-20-10-4-2-5-11-20)27-24(29)21-12-8-16-28(19-21)34(31,32)22-13-6-3-7-14-22/h2-7,10-11,13-14,21,23H,8-9,12,15-19H2,1H3,(H,26,30)(H,27,29)/t21-,23-/m0/s1