N-[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(furan-2-ylmethylamino)-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-furylmethylamino)-3-oxo-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(2-furanylmethylamino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-furfurylamino)-3-keto-propyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=CO3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H27N3O6S/c1-29-17-4-6-19(7-5-17)31(27,28)24-12-9-16(10-13-24)21(26)22-11-8-20(25)23-15-18-3-2-14-30-18/h2-7,14,16H,8-13,15H2,1H3,(H,22,26)(H,23,25)