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

Systemtic Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[4-(1-azepanyl)phenyl]propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-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)20-8-5-9-21(17-20)29(27,28)22-14-6-7-18-10-12-19(13-11-18)23-15-3-1-2-4-16-23/h5,8-13,17,22H,1-4,6-7,14-16H2