4-(azocan-1-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(azocan-1-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(azocan-1-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1-azocanyl)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(azocan-1-yl)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(azocan-1-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O4S/c1-19(2)13-10-18-26(24,25)15-8-9-16(17(14-15)21(22)23)20-11-6-4-3-5-7-12-20/h8-9,14,18H,3-7,10-13H2,1-2H3