1-[(4-bromophenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(4-bromophenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(4-bromophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(4-bromobenzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O4S/c1-14-2-7-17(22(23)24)12-18(14)27(25,26)21-10-8-20(9-11-21)13-15-3-5-16(19)6-4-15/h2-7,12H,8-11,13H2,1H3