N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H23N3O3S2/c1-14-8-10-15(11-9-14)29(26,27)24-12-4-6-18(24)20(25)23-21-17(13-22)16-5-2-3-7-19(16)28-21/h8-11,18H,2-7,12H2,1H3,(H,23,25)