5-bromanyl-3-[4-(3-morpholin-4-ylpropyl)-3-oxidanylidene-piperazin-1-yl]sulfonyl-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-3-[4-(3-morpholin-4-ylpropyl)-3-oxidanylidene-piperazin-1-yl]sulfonyl-1H-indole-2-carboxamide Openeye Name: 5-bromo-3-[4-(3-morpholinopropyl)-3-oxo-piperazin-1-yl]sulfonyl-1H-indole-2-carboxamide CAS Name: 5-bromo-3-[[4-[3-(4-morpholinyl)propyl]-3-oxo-1-piperazinyl]sulfonyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-3-[4-(3-morpholin-4-ylpropyl)-3-oxopiperazin-1-yl]sulfonyl-1H-indole-2-carboxamide Traditional Name: 5-bromo-3-[3-keto-4-(3-morpholinopropyl)piperazino]sulfonyl-1H-indole-2-carboxamide Formula: C20H26BrN5O5S MolecularWeight: 528.41994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)N)CCCN4CCOCC4

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)N)CCCN4CCOCC4

InChI

InChI=1S/C20H26BrN5O5S/c21-14-2-3-16-15(12-14)19(18(23-16)20(22)28)32(29,30)26-7-6-25(17(27)13-26)5-1-4-24-8-10-31-11-9-24/h2-3,12,23H,1,4-11,13H2,(H2,22,28)