4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenyl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[(1S)-2-morpholino-1-phenyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[(1S)-2-(4-morpholinyl)-1-phenylethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[(1S)-2-morpholino-1-phenyl-ethyl]-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(CN2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N[C@H](CN2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-27-19-8-7-16(13-18(19)22(23)24)29(25,26)20-17(15-5-3-2-4-6-15)14-21-9-11-28-12-10-21/h2-8,13,17,20H,9-12,14H2,1H3/t17-/m1/s1