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

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-2-nitro-benzenesulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c25-24(26)20-9-3-4-10-21(20)29(27,28)22-15-7-8-18-11-13-19(14-12-18)23-16-5-1-2-6-17-23/h3-4,9-14,22H,1-2,5-8,15-17H2