N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C2=CC(=CC=C2)OC)C3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](C2=CC(=CC=C2)OC)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-13-7-8-16(12-17(13)23(24)25)29(26,27)21-18(19-20-9-10-22(19)2)14-5-4-6-15(11-14)28-3/h4-12,18,21H,1-3H3/t18-/m0/s1