2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(phenylmethyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-propan-2-ylacetamide Traditional Name: N-benzyl-N-isopropyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-17(2)24(15-18-8-4-3-5-9-18)22(26)16-31-21-11-10-19(14-20(21)25(27)28)32(29,30)23-12-6-7-13-23/h3-5,8-11,14,17H,6-7,12-13,15-16H2,1-2H3