N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[[2-(morpholinomethyl)phenyl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[2-(4-morpholinylmethyl)phenyl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(morpholinomethyl)benzyl]-4-nitro-benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c22-21(23)17-5-7-18(8-6-17)27(24,25)19-13-15-3-1-2-4-16(15)14-20-9-11-26-12-10-20/h1-8,19H,9-14H2