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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

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