N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-2-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-2-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-2-nitro-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-chloro-2-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-2-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-2-nitro-benzamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c20-14-5-10-17(18(13-14)23(25)26)19(24)21-15-6-8-16(9-7-15)29(27,28)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,21,24)