4-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H17BrN4O5S2/c17-14-3-4-15(27-14)28(25,26)20-7-5-19(6-8-20)10-12-2-1-11(16(18)22)9-13(12)21(23)24/h1-4,9H,5-8,10H2,(H2,18,22)