[(1S,2S)-2-methylcyclopropyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(1S,2S)-2-methylcyclopropyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(1S,2S)-2-methylcyclopropyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [(1S,2S)-2-methylcyclopropyl]-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(1S,2S)-2-methylcyclopropyl]-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(1S,2S)-2-methylcyclopropyl]-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N3O5S/c1-11-3-4-13(19(21)22)10-15(11)25(23,24)18-7-5-17(6-8-18)16(20)14-9-12(14)2/h3-4,10,12,14H,5-9H2,1-2H3/t12-,14-/m0/s1