3-(azepan-1-ylsulfonyl)-6-chloranyl-2-methyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-6-chloranyl-2-methyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-6-chloro-2-methyl-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-6-chloro-2-methylbenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-6-chloro-2-methylbenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-6-chloro-2-methyl-benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H18ClNO4S/c1-10-12(7-6-11(15)13(10)14(17)18)21(19,20)16-8-4-2-3-5-9-16/h6-7H,2-5,8-9H2,1H3,(H,17,18)