4-chloranyl-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(4-methoxy-3-morpholinosulfonyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(4-methoxy-3-morpholinosulfonyl-phenyl)-3-nitro-benzenesulfonamide Formula: C17H18ClN3O8S2 MolecularWeight: 491.92312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H18ClN3O8S2/c1-28-16-5-2-12(10-17(16)31(26,27)20-6-8-29-9-7-20)19-30(24,25)13-3-4-14(18)15(11-13)21(22)23/h2-5,10-11,19H,6-9H2,1H3