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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C18H20ClN3O6S2 MolecularWeight: 473.9509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6S2/c19-17-10-9-16(13-18(17)22(23)24)29(25,26)20-14-5-7-15(8-6-14)30(27,28)21-11-3-1-2-4-12-21/h5-10,13,20H,1-4,11-12H2