N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

InChI

InChI=1S/C23H27N3O3S2/c1-15-5-10-19-20(13-24)23(30-21(19)12-15)25-22(27)17-6-8-18(9-7-17)31(28,29)26-11-3-4-16(2)14-26/h6-9,15-16H,3-5,10-12,14H2,1-2H3,(H,25,27)