5-chloranyl-3-(phenylsulfinyl)-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-3-(phenylsulfinyl)-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide Openeye Name: 3-(benzenesulfinyl)-5-chloro-N-(4-pyridylmethyl)-1H-indole-2-carboxamide CAS Name: 3-(benzenesulfinyl)-5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide IUPAC Name: 3-(benzenesulfinyl)-5-chloro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide Traditional Name: 3-(benzenesulfinyl)-5-chloro-N-(4-pyridylmethyl)-1H-indole-2-carboxamide Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H16ClN3O2S/c22-15-6-7-18-17(12-15)20(28(27)16-4-2-1-3-5-16)19(25-18)21(26)24-13-14-8-10-23-11-9-14/h1-12,25H,13H2,(H,24,26)