4-(6-methoxypyridin-3-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(6-methoxypyridin-3-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(6-methoxy-3-pyridyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(6-methoxy-3-pyridinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(6-methoxypyridin-3-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(6-methoxy-3-pyridyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C27H24N4O6S2 MolecularWeight: 564.63266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O6S2/c1-37-26-14-11-21(18-29-26)19-7-9-20(10-8-19)27(32)30-39(35,36)23-12-13-24(25(17-23)31(33)34)28-15-16-38-22-5-3-2-4-6-22/h2-14,17-18,28H,15-16H2,1H3,(H,30,32)