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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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