N-[2-[(1-cyano-3-methylsulfinyl-propyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[2-[(1-cyano-3-methylsulfinyl-propyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[2-[(1-cyano-3-methylsulfinyl-propyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide CAS Name: N-[2-[[(1-cyano-3-methylsulfinylpropyl)amino]-oxomethyl]cyclohexyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[2-[(1-cyano-3-methylsulfinylpropyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide Traditional Name: N-[2-[(1-cyano-3-methylsulfinyl-propyl)carbamoyl]cyclohexyl]-1-methyl-indole-2-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCS(=O)C)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3CCCCC3C(=O)NC(CCS(=O)C)C#N

InChI

InChI=1S/C22H28N4O3S/c1-26-19-10-6-3-7-15(19)13-20(26)22(28)25-18-9-5-4-8-17(18)21(27)24-16(14-23)11-12-30(2)29/h3,6-7,10,13,16-18H,4-5,8-9,11-12H2,1-2H3,(H,24,27)(H,25,28)