4-[3-bromanyl-1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-bromanyl-1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-(benzenesulfonyl)-3-bromo-indol-4-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-(benzenesulfonyl)-3-bromo-4-indolyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(benzenesulfonyl)-3-bromoindol-4-yl]piperazine-1-carboxylic acid Traditional Name: 4-(1-besyl-3-bromo-indol-4-yl)piperazine-1-carboxylic acid Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C(=CN3S(=O)(=O)C4=CC=CC=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C(=CN3S(=O)(=O)C4=CC=CC=C4)Br)C(=O)O

InChI

InChI=1S/C19H18BrN3O4S/c20-15-13-23(28(26,27)14-5-2-1-3-6-14)17-8-4-7-16(18(15)17)21-9-11-22(12-10-21)19(24)25/h1-8,13H,9-12H2,(H,24,25)