5-bromanyl-N-(2-hydroxyethyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-N-(2-hydroxyethyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1H-indole-2-carboxamide Openeye Name: 5-bromo-N-(2-hydroxyethyl)-3-(3-oxopiperazin-1-yl)sulfonyl-1H-indole-2-carboxamide CAS Name: 5-bromo-N-(2-hydroxyethyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]-1H-indole-2-carboxamide IUPAC Name: 5-bromo-N-(2-hydroxyethyl)-3-(3-oxopiperazin-1-yl)sulfonyl-1H-indole-2-carboxamide Traditional Name: 5-bromo-N-(2-hydroxyethyl)-3-(3-ketopiperazino)sulfonyl-1H-indole-2-carboxamide Formula: C15H17BrN4O5S MolecularWeight: 445.28828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NCCO

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NCCO

InChI

InChI=1S/C15H17BrN4O5S/c16-9-1-2-11-10(7-9)14(13(19-11)15(23)18-4-6-21)26(24,25)20-5-3-17-12(22)8-20/h1-2,7,19,21H,3-6,8H2,(H,17,22)(H,18,23)