N-tert-butyl-2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide

Systemtic Name: N-tert-butyl-2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide Openeye Name: N-tert-butyl-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)acetamide CAS Name: N-tert-butyl-2-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]acetamide IUPAC Name: N-tert-butyl-2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)acetamide Traditional Name: N-tert-butyl-2-(4-nitro-2-pyrrolidinosulfonyl-anilino)acetamide Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)NC(=O)CNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H24N4O5S/c1-16(2,3)18-15(21)11-17-13-7-6-12(20(22)23)10-14(13)26(24,25)19-8-4-5-9-19/h6-7,10,17H,4-5,8-9,11H2,1-3H3,(H,18,21)