4-[1-(phenylsulfonyl)indol-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1-(phenylsulfonyl)indol-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-(benzenesulfonyl)indol-5-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-(benzenesulfonyl)-5-indolyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(benzenesulfonyl)indol-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-(1-besylindol-5-yl)piperazine-1-carboxylic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)N(C=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H19N3O4S/c23-19(24)21-12-10-20(11-13-21)16-6-7-18-15(14-16)8-9-22(18)27(25,26)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,23,24)