2-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]-1,2-oxazol-5-yl]propan-2-yl]-N-methyl-aniline

Systemtic Name: 2-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]-1,2-oxazol-5-yl]propan-2-yl]-N-methyl-aniline Openeye Name: 2-[1-[3-[4-(azepan-1-ylsulfonyl)phenyl]isoxazol-5-yl]-1-methyl-ethyl]-N-methyl-aniline CAS Name: 2-[2-[3-[4-(1-azepanylsulfonyl)phenyl]-5-isoxazolyl]propan-2-yl]-N-methylaniline IUPAC Name: 2-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]-1,2-oxazol-5-yl]propan-2-yl]-N-methylaniline Traditional Name: [2-[1-[3-[4-(azepan-1-ylsulfonyl)phenyl]isoxazol-5-yl]-1-methyl-ethyl]phenyl]-methyl-amine Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1NC)C2=CC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C)(C1=CC=CC=C1NC)C2=CC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O3S/c1-25(2,21-10-6-7-11-22(21)26-3)24-18-23(27-31-24)19-12-14-20(15-13-19)32(29,30)28-16-8-4-5-9-17-28/h6-7,10-15,18,26H,4-5,8-9,16-17H2,1-3H3