3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoic acid Openeye Name: 3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoic acid CAS Name: 3-[[4-(1-piperazinyl)-1-indolyl]sulfonyl]benzoic acid IUPAC Name: 3-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoic acid Traditional Name: 3-(4-piperazinoindol-1-yl)sulfonylbenzoic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

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