N-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H27N3O5S/c1-15-5-7-19(8-6-15)30(27,28)24-11-9-17(10-12-24)21(26)23-16(2)20(25)22-14-18-4-3-13-29-18/h3-8,13,16-17H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)/t16-/m0/s1