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

Systemtic Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]methyl]benzoic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O6S/c1-30-20-12-11-19(15-21(20)32(28,29)25-13-5-3-4-6-14-25)22(26)24-16-17-7-9-18(10-8-17)23(27)31-2/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,26)