(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-methyl-2,3-dihydrobenzothiophen-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-methyl-2,3-dihydrobenzothiophen-2-yl)-(4-nosylpiperazino)methanone Formula: C20H21N3O5S2 MolecularWeight: 447.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H21N3O5S2/c1-14-2-3-15-13-19(29-18(15)12-14)20(24)21-8-10-22(11-9-21)30(27,28)17-6-4-16(5-7-17)23(25)26/h2-7,12,19H,8-11,13H2,1H3