methyl 2-[4-(1H-indol-4-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(1H-indol-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(1H-indol-4-yl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(1H-indol-4-yl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(1H-indol-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1H-indol-4-yl)piperazino]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)N2CCN(CC2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC4=C3C=CN4

InChI

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