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

Systemtic Name: (3S)-N-(1-adamantyl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-adamantyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-nipecotamide Formula: C23H31ClN2O4S MolecularWeight: 467.02124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H31ClN2O4S/c1-30-21-5-4-19(10-20(21)24)31(28,29)26-6-2-3-18(14-26)22(27)25-23-11-15-7-16(12-23)9-17(8-15)13-23/h4-5,10,15-18H,2-3,6-9,11-14H2,1H3,(H,25,27)/t15?,16?,17?,18-,23?/m0/s1