3-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-1H-indole-5-carbonitrile

Systemtic Name: 3-[(2R)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-1H-indole-5-carbonitrile Openeye Name: 3-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]sulfonyl-1H-indole-5-carbonitrile CAS Name: 3-[[(2R)-4-benzoyl-2-methyl-1-piperazinyl]sulfonyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]sulfonyl-1H-indole-5-carbonitrile Traditional Name: 3-[(2R)-4-benzoyl-2-methyl-piperazino]sulfonyl-1H-indole-5-carbonitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=C(C=C3)C#N)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CNC3=C2C=C(C=C3)C#N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-15-14-24(21(26)17-5-3-2-4-6-17)9-10-25(15)29(27,28)20-13-23-19-8-7-16(12-22)11-18(19)20/h2-8,11,13,15,23H,9-10,14H2,1H3/t15-/m1/s1