5-chloranyl-3-(phenylsulfonyl)-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-3-(phenylsulfonyl)-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide Openeye Name: 3-(benzenesulfonyl)-5-chloro-N-[2-(4-pyridyl)ethyl]-1H-indole-2-carboxamide CAS Name: 3-(benzenesulfonyl)-5-chloro-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide IUPAC Name: 3-(benzenesulfonyl)-5-chloro-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide Traditional Name: 3-besyl-5-chloro-N-[2-(4-pyridyl)ethyl]-1H-indole-2-carboxamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCCC4=CC=NC=C4

InChI

InChI=1S/C22H18ClN3O3S/c23-16-6-7-19-18(14-16)21(30(28,29)17-4-2-1-3-5-17)20(26-19)22(27)25-13-10-15-8-11-24-12-9-15/h1-9,11-12,14,26H,10,13H2,(H,25,27)