(3S)-3-methoxy-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidine

Systemtic Name: (3S)-3-methoxy-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidine Openeye Name: (3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3-methoxy-piperidine CAS Name: (3S)-3-methoxy-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]piperidine IUPAC Name: (3S)-3-methoxy-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidine Traditional Name: (3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3-methoxy-piperidine Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CCCC(C3)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CCC[C@@H](C3)OC

InChI

InChI=1S/C21H31N3O3S/c1-17(2)28(25,26)21-22-14-19(15-23-12-7-10-20(16-23)27-3)24(21)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,17,20H,7,10-13,15-16H2,1-3H3/t20-/m0/s1