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

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H20ClN3O4S2 MolecularWeight: 465.9735

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4)C=C(C=C2)Cl

InChI

InChI=1S/C20H20ClN3O4S2/c21-14-3-6-18-16(11-14)17(7-10-29-18)23-20(26)13-1-4-15(5-2-13)30(27,28)24-9-8-22-19(25)12-24/h1-6,11,17H,7-10,12H2,(H,22,25)(H,23,26)