N-[4-(azepan-1-ylcarbonyl)phenyl]-2-chloranyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-2-chloro-5-nitro-benzenesulfonamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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