(2S)-N-(4-ethylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propionamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-3-16-4-6-17(7-5-16)22-21(25)15(2)31-20-9-8-18(14-19(20)24(26)27)32(28,29)23-10-12-30-13-11-23/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,25)/t15-/m0/s1