1-[3-(azepan-1-ylsulfonyl)-4-bromanyl-phenyl]sulfonylazepane

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-bromanyl-phenyl]sulfonylazepane Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-bromo-phenyl]sulfonylazepane CAS Name: 1-[3-(1-azepanylsulfonyl)-4-bromophenyl]sulfonylazepane IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-bromophenyl]sulfonylazepane Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-bromo-phenyl]sulfonylazepane Formula: C18H27BrN2O4S2 MolecularWeight: 479.45198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H27BrN2O4S2/c19-17-10-9-16(26(22,23)20-11-5-1-2-6-12-20)15-18(17)27(24,25)21-13-7-3-4-8-14-21/h9-10,15H,1-8,11-14H2