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

Systemtic Name: (2-methoxy-4-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-methoxy-4-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-methoxy-4-methyl-phenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-16-7-12-19(20(15-16)26-2)27-21(23)17-8-10-18(11-9-17)28(24,25)22-13-5-3-4-6-14-22/h7-12,15H,3-6,13-14H2,1-2H3