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

Systemtic Name: (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(4-nosylpiperazino)methanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-14-2-7-17-18(13-29-19(17)12-14)20(24)21-8-10-22(11-9-21)30(27,28)16-5-3-15(4-6-16)23(25)26/h3-6,13-14H,2,7-12H2,1H3