N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3-chloranyl-4-fluoranyl-aniline

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3-chloranyl-4-fluoranyl-aniline Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3-chloro-4-fluoro-aniline CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-3-chloro-4-fluoroaniline IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-3-chloro-4-fluoroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(3-chloro-4-fluoro-phenyl)amine Formula: C18H19ClFN3O4S MolecularWeight: 427.877563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClFN3O4S/c19-15-11-13(5-7-16(15)20)21-17-8-6-14(12-18(17)23(24)25)28(26,27)22-9-3-1-2-4-10-22/h5-8,11-12,21H,1-4,9-10H2