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

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C22H25N5O6S MolecularWeight: 487.5288

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S/c1-25-9-8-23-22(25)21(16-4-3-5-17(14-16)32-2)24-19-7-6-18(15-20(19)27(28)29)34(30,31)26-10-12-33-13-11-26/h3-9,14-15,21,24H,10-13H2,1-2H3/t21-/m0/s1