3-(1-pyridin-3-ylindol-3-yl)propyl benzenesulfonate

Systemtic Name: 3-(1-pyridin-3-ylindol-3-yl)propyl benzenesulfonate Openeye Name: 3-[1-(3-pyridyl)indol-3-yl]propyl benzenesulfonate CAS Name: benzenesulfonic acid 3-[1-(3-pyridinyl)-3-indolyl]propyl ester IUPAC Name: 3-(1-pyridin-3-ylindol-3-yl)propyl benzenesulfonate Traditional Name: benzenesulfonic acid 3-[1-(3-pyridyl)indol-3-yl]propyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCCCC2=CN(C3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCCCC2=CN(C3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C22H20N2O3S/c25-28(26,20-10-2-1-3-11-20)27-15-7-8-18-17-24(19-9-6-14-23-16-19)22-13-5-4-12-21(18)22/h1-6,9-14,16-17H,7-8,15H2