5-(azepan-1-ylsulfonyl)-2-chloranyl-aniline hydrochloride

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-aniline hydrochloride Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-aniline hydrochloride CAS Name: 5-(1-azepanylsulfonyl)-2-chloroaniline hydrochloride IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloroaniline hydrochloride Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]amine hydrochloride Formula: C12H18Cl2N2O2S MolecularWeight: 325.25452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N.Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N.Cl

InChI

InChI=1S/C12H17ClN2O2S.ClH/c13-11-6-5-10(9-12(11)14)18(16,17)15-7-3-1-2-4-8-15;/h5-6,9H,1-4,7-8,14H2;1H