2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C17H26N4O6S MolecularWeight: 414.47654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCN2CCCC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCN2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C17H26N4O6S/c1-27-16-7-6-14(21(23)24)12-15(16)20(28(2,25)26)13-17(22)18-8-5-11-19-9-3-4-10-19/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,22)