2-(4-chlorophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[(6-morpholino-3-pyridyl)methyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[(6-morpholino-3-pyridyl)methyl]-5-nitro-benzamide Formula: C23H21ClN4O4S MolecularWeight: 484.95524

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O4S/c24-17-2-5-19(6-3-17)33-21-7-4-18(28(30)31)13-20(21)23(29)26-15-16-1-8-22(25-14-16)27-9-11-32-12-10-27/h1-8,13-14H,9-12,15H2,(H,26,29)