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

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(1-methylimidazol-2-yl)-phenyl-methyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-24-10-9-22-21(24)20(16-5-3-2-4-6-16)23-18-8-7-17(15-19(18)26(27)28)32(29,30)25-11-13-31-14-12-25/h2-10,15,20,23H,11-14H2,1H3