3-[(1S,2R)-2-(dimethylaminomethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-indole-5-carbonitrile

Systemtic Name: 3-[(1S,2R)-2-(dimethylaminomethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-indole-5-carbonitrile Openeye Name: 3-[(1S,2R)-2-(dimethylaminomethyl)cyclopropyl]-1-(p-tolylsulfonyl)indole-5-carbonitrile CAS Name: 3-[(1S,2R)-2-(dimethylaminomethyl)cyclopropyl]-1-(4-methylphenyl)sulfonyl-5-indolecarbonitrile IUPAC Name: 3-[(1S,2R)-2-(dimethylaminomethyl)cyclopropyl]-1-(4-methylphenyl)sulfonylindole-5-carbonitrile Traditional Name: 3-[(1S,2R)-2-(dimethylaminomethyl)cyclopropyl]-1-tosyl-indole-5-carbonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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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)C4CC4CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)C#N)[C@H]4C[C@H]4CN(C)C

InChI

InChI=1S/C22H23N3O2S/c1-15-4-7-18(8-5-15)28(26,27)25-14-21(19-11-17(19)13-24(2)3)20-10-16(12-23)6-9-22(20)25/h4-10,14,17,19H,11,13H2,1-3H3/t17-,19-/m0/s1