N-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-4-yl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-(1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(1,1-diketo-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidinosulfonyl-benzamide Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34)Cl

InChI

InChI=1S/C21H23ClN2O5S2/c22-17-9-8-15(14-20(17)31(28,29)24-11-4-1-5-12-24)21(25)23-18-10-13-30(26,27)19-7-3-2-6-16(18)19/h2-3,6-9,14,18H,1,4-5,10-13H2,(H,23,25)