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

Systemtic Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-4-nitro-benzenesulfonamide CAS Name: N-[(S)-(1-methyl-2-imidazolyl)-phenylmethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]-4-nitro-benzenesulfonamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-20-12-11-18-17(20)16(13-5-3-2-4-6-13)19-26(24,25)15-9-7-14(8-10-15)21(22)23/h2-12,16,19H,1H3/t16-/m0/s1