N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-pyrrolidin-1-ylsulfonyl-thiophene-2-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-pyrrolidinosulfonyl-thiophene-2-carboxamide Formula: C18H19ClN2O3S3 MolecularWeight: 443.00306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN2O3S3/c19-12-3-4-15-13(11-12)14(5-9-25-15)20-18(22)17-16(6-10-26-17)27(23,24)21-7-1-2-8-21/h3-4,6,10-11,14H,1-2,5,7-9H2,(H,20,22)