[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone Openeye Name: [4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-[4-(methylamino)-3-nitro-phenyl]methanone CAS Name: [4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-[4-(methylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone Traditional Name: [4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-[4-(methylamino)-3-nitro-phenyl]methanone Formula: C16H17BrN4O5S2 MolecularWeight: 489.36398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O5S2/c1-18-12-3-2-11(10-13(12)21(23)24)16(22)19-6-8-20(9-7-19)28(25,26)15-5-4-14(17)27-15/h2-5,10,18H,6-9H2,1H3