4-chloranyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[[4-(morpholinomethyl)phenyl]methyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[[4-(4-morpholinylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-(morpholinomethyl)benzyl]-3-nitro-benzenesulfonamide Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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