methyl 2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoate

Systemtic Name: methyl 2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoate Openeye Name: methyl 2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoate CAS Name: 2-[[4-(1-piperazinyl)-1-indolyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-(4-piperazin-1-ylindol-1-yl)sulfonylbenzoate Traditional Name: 2-(4-piperazinoindol-1-yl)sulfonylbenzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4

InChI

InChI=1S/C20H21N3O4S/c1-27-20(24)16-5-2-3-8-19(16)28(25,26)23-12-9-15-17(6-4-7-18(15)23)22-13-10-21-11-14-22/h2-9,12,21H,10-11,13-14H2,1H3