(5S,7R)-3-chloranyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(2-methyl-5-piperidinosulfonyl-phenyl)adamantane-1-carboxamide Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H31ClN2O3S/c1-16-5-6-19(30(28,29)26-7-3-2-4-8-26)10-20(16)25-21(27)22-11-17-9-18(12-22)14-23(24,13-17)15-22/h5-6,10,17-18H,2-4,7-9,11-15H2,1H3,(H,25,27)/t17-,18+,22?,23?