(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-[(1S)-1,5-dimethylhexyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-6-methylheptan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2S)-6-methylheptan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1,5-dimethylhexyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H34N2O4S/c1-16(2)7-5-8-17(3)22-21(24)18-9-6-14-23(15-18)28(25,26)20-12-10-19(27-4)11-13-20/h10-13,16-18H,5-9,14-15H2,1-4H3,(H,22,24)/t17-,18-/m0/s1