(3S)-N-(1-adamantyl)-1-(3-chlorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1-adamantyl)-1-(3-chlorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-1-(3-chlorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-1-(3-chlorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-adamantyl)-1-(3-chlorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-1-(3-chlorophenyl)sulfonyl-nipecotamide Formula: C22H29ClN2O3S MolecularWeight: 436.99526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29ClN2O3S/c23-19-4-1-5-20(10-19)29(27,28)25-6-2-3-18(14-25)21(26)24-22-11-15-7-16(12-22)9-17(8-15)13-22/h1,4-5,10,15-18H,2-3,6-9,11-14H2,(H,24,26)/t15?,16?,17?,18-,22?/m0/s1