N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(Z)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(Z)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-methyl-3-nitro-benzenesulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NN=C(C)CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N/N=C(/C)\CCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-12-3-7-15(10-16(12)21(22)23)28(24,25)20-19-13(2)4-5-14-6-8-17-18(9-14)27-11-26-17/h3,6-10,20H,4-5,11H2,1-2H3/b19-13-