4-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(morpholinomethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-(4-morpholinylmethyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-methoxy-4-(morpholinomethyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C33H34N4O7S2 MolecularWeight: 662.77566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCOCC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCOCC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H34N4O7S2/c1-43-32-21-24(23-36-16-18-44-19-17-36)7-13-29(32)25-8-10-26(11-9-25)33(38)35-46(41,42)28-12-14-30(31(22-28)37(39)40)34-15-20-45-27-5-3-2-4-6-27/h2-14,21-22,34H,15-20,23H2,1H3,(H,35,38)