3-[2-(2-hydroxyethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-indole-5-carbonitrile

Systemtic Name: 3-[2-(2-hydroxyethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-indole-5-carbonitrile Openeye Name: 3-[2-(2-hydroxyethyl)cyclopropyl]-1-(p-tolylsulfonyl)indole-5-carbonitrile CAS Name: 3-[2-(2-hydroxyethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-5-indolecarbonitrile IUPAC Name: 3-[2-(2-hydroxyethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile Traditional Name: 3-[2-(2-hydroxyethyl)cyclopropyl]-1-tosyl-indole-5-carbonitrile Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4CC4CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4CC4CCO

InChI

InChI=1S/C21H20N2O3S/c1-14-2-5-17(6-3-14)27(25,26)23-13-20(18-11-16(18)8-9-24)19-10-15(12-22)4-7-21(19)23/h2-7,10,13,16,18,24H,8-9,11H2,1H3