methyl 6-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]hexanoate CAS Name: 6-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]hexanoate Traditional Name: 6-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]hexanoic acid methyl ester Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCCCC(=O)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H32N2O6S/c1-28-18-12-11-17(21(25)22-13-7-5-6-10-20(24)29-2)16-19(18)30(26,27)23-14-8-3-4-9-15-23/h11-12,16H,3-10,13-15H2,1-2H3,(H,22,25)