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

Systemtic Name: methyl 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate Openeye Name: methyl 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(azepan-1-ylsulfonyl)-4-methylbenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoic acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NO4S/c1-12-7-8-13(15(17)20-2)11-14(12)21(18,19)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3