N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-13(14-3-5-15(6-4-14)21-10-9-19-12-21)20-28(25,26)16-7-8-18(27-2)17(11-16)22(23)24/h3-13,20H,1-2H3/t13-/m1/s1