N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-chlorothiochroman-4-yl)pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-(6-chlorothiochroman-4-yl)pyrrolidine-2-carboxamide Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN2O3S2/c21-14-8-9-19-16(13-14)17(10-12-27-19)22-20(24)18-7-4-11-23(18)28(25,26)15-5-2-1-3-6-15/h1-3,5-6,8-9,13,17-18H,4,7,10-12H2,(H,22,24)