1-[(3-bromophenyl)methyl]-4-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-(3-chloro-4-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-(3-chloro-4-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(3-chloro-4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-(3-bromobenzyl)-4-(3-chloro-4-methoxy-phenyl)sulfonyl-piperazine Formula: C18H20BrClN2O3S MolecularWeight: 459.785

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C18H20BrClN2O3S/c1-25-18-6-5-16(12-17(18)20)26(23,24)22-9-7-21(8-10-22)13-14-3-2-4-15(19)11-14/h2-6,11-12H,7-10,13H2,1H3