N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-piperidinosulfonyl-benzamide Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O3S2/c22-16-7-8-20-18(14-16)19(9-12-28-20)23-21(25)15-5-4-6-17(13-15)29(26,27)24-10-2-1-3-11-24/h4-8,13-14,19H,1-3,9-12H2,(H,23,25)