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

Systemtic Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C27H26N6O5S MolecularWeight: 546.59754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H26N6O5S/c1-38-23-11-9-20(10-12-23)27-21(19-32(30-27)22-7-3-2-4-8-22)18-28-29-25-14-13-24(17-26(25)33(34)35)39(36,37)31-15-5-6-16-31/h2-4,7-14,17-19,29H,5-6,15-16H2,1H3/b28-18+