1-[2-(3-bromanylphenoxy)ethyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-(3-bromanylphenoxy)ethyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[2-(3-bromophenoxy)ethyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[2-(3-bromophenoxy)ethyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[2-(3-bromophenoxy)ethyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[2-(3-bromophenoxy)ethyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C19H22BrN3O5S MolecularWeight: 484.36408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H22BrN3O5S/c1-15-5-6-18(14-19(15)23(24)25)29(26,27)22-9-7-21(8-10-22)11-12-28-17-4-2-3-16(20)13-17/h2-6,13-14H,7-12H2,1H3