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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]acetamide Formula: C22H25N5O5S2 MolecularWeight: 503.5944

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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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5S2/c1-15-6-7-16-17(13-23)22(33-19(16)12-15)24-21(28)14-25-8-10-26(11-9-25)34(31,32)20-5-3-2-4-18(20)27(29)30/h2-5,15H,6-12,14H2,1H3,(H,24,28)