N-[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3H-isoindol-1-ylidene]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3H-isoindol-1-ylidene]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]isoindolin-1-ylidene]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3H-isoindol-1-ylidene]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3H-isoindol-1-ylidene]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[2-[4-(p-phenetylsulfamoyl)phenyl]isoindolin-1-ylidene]-4-pyrrolidino-benzamide Formula: C33H31N5O6S MolecularWeight: 625.69414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=NC(=O)C5=CC(=C(C=C5)N6CCCC6)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=NC(=O)C5=CC(=C(C=C5)N6CCCC6)[N+](=O)[O-]

InChI

InChI=1S/C33H31N5O6S/c1-2-44-27-14-10-25(11-15-27)35-45(42,43)28-16-12-26(13-17-28)37-22-24-7-3-4-8-29(24)32(37)34-33(39)23-9-18-30(31(21-23)38(40)41)36-19-5-6-20-36/h3-4,7-18,21,35H,2,5-6,19-20,22H2,1H3