1-(benzotriazol-1-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-yl-2-(4-nitrophenyl)ethanimine

Systemtic Name: 1-(benzotriazol-1-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-yl-2-(4-nitrophenyl)ethanimine Openeye Name: 1-(benzotriazol-1-yl)-2-morpholino-2-(4-nitrophenyl)-N-(p-tolylsulfonylmethyl)ethanimine CAS Name: 1-(1-benzotriazolyl)-N-[(4-methylphenyl)sulfonylmethyl]-2-(4-morpholinyl)-2-(4-nitrophenyl)ethanimine IUPAC Name: 1-(benzotriazol-1-yl)-N-[(4-methylphenyl)sulfonylmethyl]-2-morpholin-4-yl-2-(4-nitrophenyl)ethanimine Traditional Name: (E)-[1-(benzotriazol-1-yl)-2-morpholino-2-(4-nitrophenyl)ethylidene]-(tosylmethyl)amine Formula: C26H26N6O5S MolecularWeight: 534.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CN=C(C(C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C/N=C(\C(C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)/N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H26N6O5S/c1-19-6-12-22(13-7-19)38(35,36)18-27-26(31-24-5-3-2-4-23(24)28-29-31)25(30-14-16-37-17-15-30)20-8-10-21(11-9-20)32(33)34/h2-13,25H,14-18H2,1H3/b27-26+