(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(1S,2R)-2-methyl-1-(phenylcarbamoyl)butyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(2S,3R)-1-anilino-3-methyl-1-oxopentan-2-yl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S,3R)-1-anilino-3-methyl-1-oxopentan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(1S,2R)-2-methyl-1-(phenylcarbamoyl)butyl]nipecotamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33N3O5S/c1-4-18(2)23(25(30)26-20-10-6-5-7-11-20)27-24(29)19-9-8-16-28(17-19)34(31,32)22-14-12-21(33-3)13-15-22/h5-7,10-15,18-19,23H,4,8-9,16-17H2,1-3H3,(H,26,30)(H,27,29)/t18-,19+,23+/m1/s1