2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfinic acid

Systemtic Name: 2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfinic acid Openeye Name: 2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfinic acid CAS Name: 2-[[4-(1-piperazinyl)-1-indolyl]sulfonyl]benzenesulfinic acid IUPAC Name: 2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzenesulfinic acid Traditional Name: 2-(4-piperazinoindol-1-yl)sulfonylbenzenesulfinic acid Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4S(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4S(=O)O

InChI

InChI=1S/C18H19N3O4S2/c22-26(23)17-6-1-2-7-18(17)27(24,25)21-11-8-14-15(4-3-5-16(14)21)20-12-9-19-10-13-20/h1-8,11,19H,9-10,12-13H2,(H,22,23)