3-(azepan-1-ylsulfonyl)-4-methyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-4-methylbenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methylbenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-11-6-7-12(14(16)17)10-13(11)20(18,19)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3,(H,16,17)