(3S)-N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(Z)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(Z)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-1-tosyl-nipecotamide Formula: C26H37N3O3S MolecularWeight: 471.65528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NN=C(C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N/N=C(/C)\CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O3S/c1-18-5-7-24(8-6-18)33(31,32)29-9-3-4-23(17-29)25(30)28-27-19(2)13-26-14-20-10-21(15-26)12-22(11-20)16-26/h5-8,20-23H,3-4,9-17H2,1-2H3,(H,28,30)/b27-19-/t20?,21?,22?,23-,26?/m0/s1