N-[4-(cyanomethyl)phenyl]-3-nitro-N-propan-2-ylsulfonyl-4-pyridin-2-ylsulfanyl-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-nitro-N-propan-2-ylsulfonyl-4-pyridin-2-ylsulfanyl-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-3-nitro-4-(2-pyridylsulfanyl)benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-nitro-N-propan-2-ylsulfonyl-4-(2-pyridinylthio)benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-nitro-N-propan-2-ylsulfonyl-4-pyridin-2-ylsulfanylbenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-3-nitro-4-(2-pyridylthio)benzamide Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c1-16(2)34(31,32)26(19-9-6-17(7-10-19)12-13-24)23(28)18-8-11-21(20(15-18)27(29)30)33-22-5-3-4-14-25-22/h3-11,14-16H,12H2,1-2H3