(4-chloranyl-2-methyl-phenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (4-chloro-2-methyl-phenyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (4-chloro-2-methyl-phenyl) ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24ClNO5S/c1-15-13-17(22)8-10-18(15)28-21(24)16-7-9-19(27-2)20(14-16)29(25,26)23-11-5-3-4-6-12-23/h7-10,13-14H,3-6,11-12H2,1-2H3