(5S,7R)-3-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C19H21ClN2O3S2/c1-27(24,25)13-2-3-14-15(5-13)26-17(21-14)22-16(23)18-6-11-4-12(7-18)9-19(20,8-11)10-18/h2-3,5,11-12H,4,6-10H2,1H3,(H,21,22,23)/t11-,12+,18?,19?