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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N4O6S/c1-32-21-11-10-19(26(28)29)14-20(21)25(33(2,30)31)16-22(27)23-15-17-6-8-18(9-7-17)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,27)