4-(5-methylpyridin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(5-methylpyridin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(5-methyl-2-pyridyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(5-methyl-2-pyridinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(5-methylpyridin-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(5-methyl-2-pyridyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C27H24N4O5S2 MolecularWeight: 548.63326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=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

CC1=CN=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/C27H24N4O5S2/c1-19-7-13-24(29-18-19)20-8-10-21(11-9-20)27(32)30-38(35,36)23-12-14-25(26(17-23)31(33)34)28-15-16-37-22-5-3-2-4-6-22/h2-14,17-18,28H,15-16H2,1H3,(H,30,32)