(2-methylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-methylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: o-tolylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-methylbenzyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H27NO5S/c1-17-9-5-6-10-18(17)16-28-22(24)20-15-19(11-12-21(20)27-2)29(25,26)23-13-7-3-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3