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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrrolidine-2-carboxamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c1-13-4-9-16-17(12-23)21(29-19(16)11-13)24-20(26)18-3-2-10-25(18)30(27,28)15-7-5-14(22)6-8-15/h5-8,13,18H,2-4,9-11H2,1H3,(H,24,26)