[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H28N2O5S2/c1-18-6-9-23-21(14-18)16-24(34-23)26(30)33-17-25(29)27-10-12-28(13-11-27)35(31,32)22-8-7-19-4-2-3-5-20(19)15-22/h2-5,7-8,15-16,18H,6,9-14,17H2,1H3/t18-/m0/s1