N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-thiochroman-4-yl-pyrrolidine-2-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-thiochroman-4-yl-pyrrolidine-2-carboxamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O4S2/c1-27-15-8-10-16(11-9-15)29(25,26)23-13-4-6-19(23)21(24)22-18-12-14-28-20-7-3-2-5-17(18)20/h2-3,5,7-11,18-19H,4,6,12-14H2,1H3,(H,22,24)