N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N[C@H](C)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C18H18N4O4S/c1-13-3-6-17(22(23)24)11-18(13)27(25,26)20-14(2)15-4-7-16(8-5-15)21-10-9-19-12-21/h3-12,14,20H,1-2H3/t14-/m1/s1