4-(azepan-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(azepan-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1-azepanyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(azepan-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(azepan-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c24-23(25)19-16-17(6-7-18(19)22-10-3-1-2-4-11-22)29(26,27)20-8-5-9-21-12-14-28-15-13-21/h6-7,16,20H,1-5,8-15H2/p+1