[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-mesylpiperazino)methanone Formula: C16H24N2O3S2 MolecularWeight: 356.50336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H24N2O3S2/c1-3-12-4-5-14-13(10-12)11-15(22-14)16(19)17-6-8-18(9-7-17)23(2,20)21/h11-12H,3-10H2,1-2H3/t12-/m0/s1