methyl 7-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]heptanoate

Systemtic Name: methyl 7-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]heptanoate Openeye Name: methyl 7-[[4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoyl]amino]heptanoate CAS Name: 7-[[oxo-[4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)phenyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]heptanoate Traditional Name: 7-[(4-piperidino-3-piperidinosulfonyl-benzoyl)amino]enanthic acid methyl ester Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O5S/c1-33-24(29)12-6-2-3-7-15-26-25(30)21-13-14-22(27-16-8-4-9-17-27)23(20-21)34(31,32)28-18-10-5-11-19-28/h13-14,20H,2-12,15-19H2,1H3,(H,26,30)