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

Systemtic Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-14-5-6-18-15(11-14)12-19(29-18)20(24)21-7-9-22(10-8-21)30(27,28)17-4-2-3-16(13-17)23(25)26/h2-4,12-14H,5-11H2,1H3