[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: [4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(3-nitrophenyl)sulfonylpiperazino]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S2/c23-19(18-12-14-4-1-2-7-17(14)28-18)20-8-10-21(11-9-20)29(26,27)16-6-3-5-15(13-16)22(24)25/h3,5-6,12-13H,1-2,4,7-11H2