N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-2-phenoxy-ethanamine

Systemtic Name: N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-2-phenoxy-ethanamine Openeye Name: N-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-N-methyl-2-phenoxy-ethanamine CAS Name: N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-2-phenoxyethanamine IUPAC Name: N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-phenoxyethanamine Traditional Name: (3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-(2-phenoxyethyl)amine Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN(C)CCOC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)CN(C)CCOC2=CC=CC=C2

InChI

InChI=1S/C21H33N3O3S/c1-17(2)11-12-24-19(15-22-21(24)28(25,26)18(3)4)16-23(5)13-14-27-20-9-7-6-8-10-20/h6-10,15,17-18H,11-14,16H2,1-5H3