(2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-[(1R)-1-phenylethyl]propanamide

Systemtic Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-[(1R)-1-phenylethyl]propanamide Openeye Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2S)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-[(1R)-1-phenylethyl]propanamide IUPAC Name: (2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1R)-1-phenylethyl]propanamide Traditional Name: (2S)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-[(1R)-1-phenylethyl]propionamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15(17-8-4-3-5-9-17)22-21(25)16(2)30-20-11-10-18(14-19(20)24(26)27)31(28,29)23-12-6-7-13-23/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3,(H,22,25)/t15-,16+/m1/s1