(3S)-N-(1-adamantyl)-1-(4-chloranyl-3-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1-adamantyl)-1-(4-chloranyl-3-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-1-(4-chloro-3-methyl-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-1-(4-chloro-3-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-adamantyl)-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-1-(4-chloro-3-methyl-phenyl)sulfonyl-nipecotamide Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H31ClN2O3S/c1-15-7-20(4-5-21(15)24)30(28,29)26-6-2-3-19(14-26)22(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-5,7,16-19H,2-3,6,8-14H2,1H3,(H,25,27)/t16?,17?,18?,19-,23?/m0/s1