N-(2,4-dimethylphenyl)-4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylidene]hydrazinyl]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylene]hydrazino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[(2E)-2-[[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(N'E)-N'-[(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methylene]hydrazino]-3-nitro-benzenesulfonamide Formula: C29H31N7O4S MolecularWeight: 573.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NN=CC3=C(N(N=C3C)C4=CC=CC=C4)N5CCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=C(N(N=C3C)C4=CC=CC=C4)N5CCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C29H31N7O4S/c1-20-11-13-26(21(2)17-20)33-41(39,40)24-12-14-27(28(18-24)36(37)38)31-30-19-25-22(3)32-35(23-9-5-4-6-10-23)29(25)34-15-7-8-16-34/h4-6,9-14,17-19,31,33H,7-8,15-16H2,1-3H3/b30-19+