(E)-3-(1-butylindol-3-yl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(1-butylindol-3-yl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-(1-butylindol-3-yl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-(1-butyl-3-indolyl)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(1-butylindol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-besyl-3-(1-butylindol-3-yl)acrylonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C21)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C21)/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-2-3-13-23-16-17(20-11-7-8-12-21(20)23)14-19(15-22)26(24,25)18-9-5-4-6-10-18/h4-12,14,16H,2-3,13H2,1H3/b19-14+