N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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