4-(azepan-1-ylsulfonyl)-3-chloranyl-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-3-chloranyl-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-3-chloro-aniline CAS Name: 4-(1-azepanylsulfonyl)-3-chloroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-3-chloroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-3-chloro-phenyl]amine Formula: C12H17ClN2O2S MolecularWeight: 288.79358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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