4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-thiochroman-4-yl-benzamide CAS Name: 4-chloro-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-N-thiochroman-4-yl-benzamide Formula: C20H21ClN2O3S2 MolecularWeight: 436.97534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=CC=CC=C34)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCSC4=CC=CC=C34)Cl

InChI

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