4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-yl-phenyl)-3-nitro-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-morpholinosulfonyl-2-(1-piperidyl)phenyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-3-nitrobenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(5-morpholinosulfonyl-2-piperidino-phenyl)-3-nitro-benzamide Formula: C25H29N7O6S2 MolecularWeight: 587.67106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H29N7O6S2/c1-29-17-26-28-25(29)39-23-8-5-18(15-22(23)32(34)35)24(33)27-20-16-19(40(36,37)31-11-13-38-14-12-31)6-7-21(20)30-9-3-2-4-10-30/h5-8,15-17H,2-4,9-14H2,1H3,(H,27,33)