2-(2,6-dimethylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6S/c1-18-9-8-10-19(2)23(18)30-15-16-31-24(26)20-11-12-21(29-3)22(17-20)32(27,28)25-13-6-4-5-7-14-25/h8-12,17H,4-7,13-16H2,1-3H3