[(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-3-yl]-phenyl-methanone

Systemtic Name: [(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-3-yl]-phenyl-methanone Openeye Name: [(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-3-piperidyl]-phenyl-methanone CAS Name: [(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-3-piperidinyl]-phenylmethanone IUPAC Name: [(3S)-1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-3-yl]-phenylmethanone Traditional Name: [(3S)-1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-3-piperidyl]-phenyl-methanone Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)CN2CCCC(C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)CN2CCC[C@@H](C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S/c1-28-13-7-12-24-19(14-22-21(24)29(2,26)27)16-23-11-6-10-18(15-23)20(25)17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15-16H2,1-2H3/t18-/m0/s1