N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]butyramide Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S2/c1-14-5-10-17-18(13-23)21(29-19(17)12-14)24-20(26)4-3-11-25(2)30(27,28)16-8-6-15(22)7-9-16/h6-9,14H,3-5,10-12H2,1-2H3,(H,24,26)