1-(2-methyl-5-nitro-phenyl)sulfonyl-4-propan-2-yl-piperazine

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-propan-2-yl-piperazine Openeye Name: 1-isopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-propan-2-ylpiperazine Traditional Name: 1-isopropyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C14H21N3O4S MolecularWeight: 327.39924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C

InChI

InChI=1S/C14H21N3O4S/c1-11(2)15-6-8-16(9-7-15)22(20,21)14-10-13(17(18)19)5-4-12(14)3/h4-5,10-11H,6-9H2,1-3H3