methyl 4-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-[[4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoyl]amino]butanoate CAS Name: 4-[[oxo-[4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]butanoate Traditional Name: 4-[(4-piperidino-3-piperidinosulfonyl-benzoyl)amino]butyric acid methyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-30-21(26)9-8-12-23-22(27)18-10-11-19(24-13-4-2-5-14-24)20(17-18)31(28,29)25-15-6-3-7-16-25/h10-11,17H,2-9,12-16H2,1H3,(H,23,27)