N-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C23H26N6O5S MolecularWeight: 498.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NNC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=N/NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O5S/c1-17-21(18(2)28(26-17)16-19-6-4-3-5-7-19)15-24-25-22-9-8-20(14-23(22)29(30)31)35(32,33)27-10-12-34-13-11-27/h3-9,14-15,25H,10-13,16H2,1-2H3/b24-15+