N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c24-23(25)19-6-5-7-20(16-19)28(26,27)21-13-12-17-8-10-18(11-9-17)22-14-3-1-2-4-15-22/h5-11,16,21H,1-4,12-15H2