4-[1-(2-morpholin-4-ylethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[1-(2-morpholin-4-ylethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[1-(2-morpholinoethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[1-[2-(4-morpholinyl)ethyl]-5-benzimidazolyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[1-(2-morpholin-4-ylethyl)benzimidazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[1-(2-morpholinoethyl)benzimidazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C34H34N6O6S2 MolecularWeight: 686.80036

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C=NC3=C2C=CC(=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN2C=NC3=C2C=CC(=C3)C4=CC=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCCSC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C34H34N6O6S2/c41-34(37-48(44,45)29-11-12-30(33(23-29)40(42)43)35-14-21-47-28-4-2-1-3-5-28)26-8-6-25(7-9-26)27-10-13-32-31(22-27)36-24-39(32)16-15-38-17-19-46-20-18-38/h1-13,22-24,35H,14-21H2,(H,37,41)