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

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amine Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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