4-chloranyl-N-(2-morpholin-4-yl-1-phenyl-ethyl)-3-nitro-benzenesulfonamide hydrochloride

Systemtic Name: 4-chloranyl-N-(2-morpholin-4-yl-1-phenyl-ethyl)-3-nitro-benzenesulfonamide hydrochloride Openeye Name: 4-chloro-N-(2-morpholino-1-phenyl-ethyl)-3-nitro-benzenesulfonamide hydrochloride CAS Name: 4-chloro-N-[2-(4-morpholinyl)-1-phenylethyl]-3-nitrobenzenesulfonamide hydrochloride IUPAC Name: 4-chloro-N-(2-morpholin-4-yl-1-phenylethyl)-3-nitrobenzenesulfonamide hydrochloride Traditional Name: 4-chloro-N-(2-morpholino-1-phenyl-ethyl)-3-nitro-benzenesulfonamide hydrochloride Formula: C18H21Cl2N3O5S MolecularWeight: 462.34744

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl

Isomeric SMILES

C1COCCN1CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H20ClN3O5S.ClH/c19-16-7-6-15(12-18(16)22(23)24)28(25,26)20-17(14-4-2-1-3-5-14)13-21-8-10-27-11-9-21;/h1-7,12,17,20H,8-11,13H2;1H