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

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

Click to see the large picture

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(17-13-14-5-1-3-7-16(14)28-17)20-9-11-21(12-10-20)29(26,27)18-8-4-2-6-15(18)22(24)25/h2,4,6,8,13H,1,3,5,7,9-12H2