(5-nitrothiophen-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-nitro-2-thienyl)methanone CAS Name: (5-nitro-2-thiophenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-nitrothiophen-2-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-nitro-2-thienyl)methanone Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O5S2/c20-16(14-6-7-15(25-14)19(21)22)17-8-10-18(11-9-17)26(23,24)12-13-4-2-1-3-5-13/h1-7H,8-12H2