azepan-1-yl-[4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]methanone CAS Name: 1-azepanyl-[4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]methanone Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O5S/c20-15-7-3-4-8-17(15)28(26,27)18-10-9-14(13-16(18)22(24)25)19(23)21-11-5-1-2-6-12-21/h3-4,7-10,13H,1-2,5-6,11-12H2