5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl chloride

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl chloride Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl chloride CAS Name: 5-(1-azepanylsulfonyl)-2-methylbenzoyl chloride IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methylbenzoyl chloride Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl chloride Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3S/c1-11-6-7-12(10-13(11)14(15)17)20(18,19)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3