(4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-carbomethoxybenzyl) ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H24ClNO6S/c1-29-21(25)17-8-6-16(7-9-17)15-30-22(26)18-10-11-19(23)20(14-18)31(27,28)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3