2-(azepan-1-ylsulfonyl)-5-bromanyl-aniline

Systemtic Name: 2-(azepan-1-ylsulfonyl)-5-bromanyl-aniline Openeye Name: 2-(azepan-1-ylsulfonyl)-5-bromo-aniline CAS Name: 2-(1-azepanylsulfonyl)-5-bromoaniline IUPAC Name: 2-(azepan-1-ylsulfonyl)-5-bromoaniline Traditional Name: [2-(azepan-1-ylsulfonyl)-5-bromo-phenyl]amine Formula: C12H17BrN2O2S MolecularWeight: 333.24458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O2S/c13-10-5-6-12(11(14)9-10)18(16,17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,14H2