N-[3-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-nitro-benzamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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