N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])/CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O7S/c1-15(2-3-16-4-7-20-21(12-16)32-14-31-20)22-23-18-6-5-17(13-19(18)25(26)27)33(28,29)24-8-10-30-11-9-24/h4-7,12-13,23H,2-3,8-11,14H2,1H3/b22-15+