5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-2-nitro-aniline

Systemtic Name: 5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-2-nitro-aniline Openeye Name: 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-N-methyl-2-nitro-aniline CAS Name: 5-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-N-methyl-2-nitroaniline IUPAC Name: 5-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-2-nitroaniline Traditional Name: [5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-nitro-phenyl]-methyl-amine Formula: C15H17BrN4O4S2 MolecularWeight: 461.35388

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrN4O4S2/c1-17-12-10-11(2-3-13(12)20(21)22)18-6-8-19(9-7-18)26(23,24)15-5-4-14(16)25-15/h2-5,10,17H,6-9H2,1H3