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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[[4-(1-piperidylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[[4-(1-piperidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[4-(piperidinomethyl)benzyl]acetamide Formula: C23H30N4O6S MolecularWeight: 490.5725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)CN3CCCCC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)CN3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C23H30N4O6S/c1-33-22-11-10-20(27(29)30)14-21(22)26(34(2,31)32)17-23(28)24-15-18-6-8-19(9-7-18)16-25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15-17H2,1-2H3,(H,24,28)