(3S)-3-[1-(phenylsulfonyl)indol-3-yl]butanenitrile

Systemtic Name: (3S)-3-[1-(phenylsulfonyl)indol-3-yl]butanenitrile Openeye Name: (3S)-3-[1-(benzenesulfonyl)indol-3-yl]butanenitrile CAS Name: (3S)-3-[1-(benzenesulfonyl)-3-indolyl]butanenitrile IUPAC Name: (3S)-3-[1-(benzenesulfonyl)indol-3-yl]butanenitrile Traditional Name: (3S)-3-(1-besylindol-3-yl)butyronitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC#N)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c1-14(11-12-19)17-13-20(18-10-6-5-9-16(17)18)23(21,22)15-7-3-2-4-8-15/h2-10,13-14H,11H2,1H3/t14-/m0/s1