bis(2-methylsulfonylethyl) 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 1-[(3-chlorobenzothiophen-2-yl)methyl]-2-cyclopropyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-cyclopropyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-2-cyclopropyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylic acid bis(2-mesylethyl) ester Formula: C30H36ClNO9S3 MolecularWeight: 686.25614

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=C(C3=CC=CC=C3S2)Cl)C4CC4)CCCO

Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC(=CC(N(C=C1C(=O)OCCS(=O)(=O)C)CC2=C(C3=CC=CC=C3S2)Cl)C4CC4)CCCO

InChI

InChI=1S/C30H36ClNO9S3/c1-43(36,37)14-12-40-29(34)23-16-20(6-5-11-33)17-25(21-9-10-21)32(18-24(23)30(35)41-13-15-44(2,38)39)19-27-28(31)22-7-3-4-8-26(22)42-27/h3-4,7-8,16-18,21,25,33H,5-6,9-15,19H2,1-2H3