(2R)-N-tert-butyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: (2R)-N-tert-butyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O6S/c1-13(17(23)19-18(2,3)4)20-8-10-21(11-9-20)29(26,27)14-6-7-16(28-5)15(12-14)22(24)25/h6-7,12-13H,8-11H2,1-5H3,(H,19,23)/t13-/m1/s1