(2S)-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-propanamide

Systemtic Name: (2S)-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-propanamide Openeye Name: (2S)-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-propanamide CAS Name: (2S)-N-methyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-phenylpropanamide IUPAC Name: (2S)-N-methyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-phenylpropanamide Traditional Name: (2S)-N-methyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-phenyl-propionamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-15(20(24)21(2)16-8-4-3-5-9-16)29-19-11-10-17(14-18(19)23(25)26)30(27,28)22-12-6-7-13-22/h3-5,8-11,14-15H,6-7,12-13H2,1-2H3/t15-/m0/s1