tert-butyl 2-[[4-(1-benzothiophen-2-ylsulfonyl)-2-oxidanylidene-piperazin-1-yl]methyl]pyrrolo[3,2-c]pyridine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-(1-benzothiophen-2-ylsulfonyl)-2-oxidanylidene-piperazin-1-yl]methyl]pyrrolo[3,2-c]pyridine-1-carboxylate Openeye Name: tert-butyl 2-[[4-(benzothiophen-2-ylsulfonyl)-2-oxo-piperazin-1-yl]methyl]pyrrolo[3,2-c]pyridine-1-carboxylate CAS Name: 2-[[4-(1-benzothiophen-2-ylsulfonyl)-2-oxo-1-piperazinyl]methyl]-1-pyrrolo[3,2-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(1-benzothiophen-2-ylsulfonyl)-2-oxopiperazin-1-yl]methyl]pyrrolo[3,2-c]pyridine-1-carboxylate Traditional Name: 2-[[4-(benzothiophen-2-ylsulfonyl)-2-keto-piperazino]methyl]pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C1CN3CCN(CC3=O)S(=O)(=O)C4=CC5=CC=CC=C5S4)C=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C1CN3CCN(CC3=O)S(=O)(=O)C4=CC5=CC=CC=C5S4)C=NC=C2

InChI

InChI=1S/C25H26N4O5S2/c1-25(2,3)34-24(31)29-19(12-18-14-26-9-8-20(18)29)15-27-10-11-28(16-22(27)30)36(32,33)23-13-17-6-4-5-7-21(17)35-23/h4-9,12-14H,10-11,15-16H2,1-3H3