N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(R)-(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c1-22-10-9-20-18(22)17(12-3-5-13(19)6-4-12)21-15-8-7-14(28(2,26)27)11-16(15)23(24)25/h3-11,17,21H,1-2H3/t17-/m1/s1