N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C25H29N7O5S MolecularWeight: 539.60666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N7O5S/c1-19-22(25(29-11-5-6-12-29)31(28-19)20-7-3-2-4-8-20)18-26-27-23-10-9-21(17-24(23)32(33)34)38(35,36)30-13-15-37-16-14-30/h2-4,7-10,17-18,27H,5-6,11-16H2,1H3/b26-18+