(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-2-methyl-1-(phenylcarbamoyl)propyl]piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-2-methyl-1-(phenylcarbamoyl)propyl]nipecotamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O4S/c1-16(2)21(23(29)25-19-8-4-3-5-9-19)26-22(28)17-7-6-14-27(15-17)32(30,31)20-12-10-18(24)11-13-20/h3-5,8-13,16-17,21H,6-7,14-15H2,1-2H3,(H,25,29)(H,26,28)/t17-,21-/m0/s1