N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O5S2/c1-28-17-7-6-14(12-19(17)31(26,27)24-8-10-29-11-9-24)20(25)23-21-16(13-22)15-4-2-3-5-18(15)30-21/h6-7,12H,2-5,8-11H2,1H3,(H,23,25)