N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-5-chloro-3-methyl-benzothiophene-2-sulfonamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-5-chloro-3-methyl-benzothiophene-2-sulfonamide Formula: C22H23ClN2O2S3 MolecularWeight: 479.07822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H23ClN2O2S3/c1-12-17-7-16(23)2-3-18(17)29-20(12)30(26,27)25-21-24-19(11-28-21)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,11,13-15H,4-6,8-10H2,1H3,(H,24,25)