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

Systemtic Name: 3-[2-(methylaminomethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-indole-5-carbonitrile Openeye Name: 3-[2-(methylaminomethyl)cyclopropyl]-1-(p-tolylsulfonyl)indole-5-carbonitrile CAS Name: 3-[2-(methylaminomethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-5-indolecarbonitrile IUPAC Name: 3-[2-(methylaminomethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile Traditional Name: 3-[2-(methylaminomethyl)cyclopropyl]-1-tosyl-indole-5-carbonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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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)C4CC4CNC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)C4CC4CNC

InChI

InChI=1S/C21H21N3O2S/c1-14-3-6-17(7-4-14)27(25,26)24-13-20(18-10-16(18)12-23-2)19-9-15(11-22)5-8-21(19)24/h3-9,13,16,18,23H,10,12H2,1-2H3