N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(2-furylmethylcarbamoyl)-2-methyl-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(2-furanylmethylamino)-3-methyl-1-oxobutan-2-yl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(2-furfurylcarbamoyl)-2-methyl-propyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CO1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CO1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N3O6S/c1-16(2)21(23(28)24-15-19-5-4-14-32-19)25-22(27)17-10-12-26(13-11-17)33(29,30)20-8-6-18(31-3)7-9-20/h4-9,14,16-17,21H,10-13,15H2,1-3H3,(H,24,28)(H,25,27)/t21-/m0/s1