2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-(4-piperidinosulfonylphenyl)acetamide Formula: C21H26N4O8S2 MolecularWeight: 526.58314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O8S2/c1-33-20-11-8-17(25(27)28)14-19(20)24(34(2,29)30)15-21(26)22-16-6-9-18(10-7-16)35(31,32)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,26)