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

Systemtic Name: methyl 3-(azocan-1-ylsulfonyl)-4-methyl-benzoate Openeye Name: methyl 3-(azocan-1-ylsulfonyl)-4-methyl-benzoate CAS Name: 3-(1-azocanylsulfonyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(azocan-1-ylsulfonyl)-4-methylbenzoate Traditional Name: 3-(azocan-1-ylsulfonyl)-4-methyl-benzoic acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCCCCC2

InChI

InChI=1S/C16H23NO4S/c1-13-8-9-14(16(18)21-2)12-15(13)22(19,20)17-10-6-4-3-5-7-11-17/h8-9,12H,3-7,10-11H2,1-2H3