2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C26H34N4O3S2 MolecularWeight: 514.70316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H34N4O3S2/c1-18-5-10-21-22(16-27)25(34-23(21)15-18)28-24(31)17-29-11-13-30(14-12-29)35(32,33)20-8-6-19(7-9-20)26(2,3)4/h6-9,18H,5,10-15,17H2,1-4H3,(H,28,31)