N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CCSC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)NC1CCSC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18ClN3O3S2/c1-23(28(25,26)15-5-2-13(11-21)3-6-15)12-19(24)22-17-8-9-27-18-7-4-14(20)10-16(17)18/h2-7,10,17H,8-9,12H2,1H3,(H,22,24)