N-tert-butyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-tert-butyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-benzyl-N-tert-butyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H29N3O6S/c1-23(2,3)25(16-18-9-5-4-6-10-18)22(27)17-32-21-12-11-19(15-20(21)26(28)29)33(30,31)24-13-7-8-14-24/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3