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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethylisoxazol-4-yl)methyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(3,5-dimethyl-4-isoxazolyl)methyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[(3,5-dimethylisoxazol-4-yl)methyl]amine Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N3O3S/c1-14-18(15(2)24-20-14)13-19-16-7-9-17(10-8-16)25(22,23)21-11-5-3-4-6-12-21/h7-10,19H,3-6,11-13H2,1-2H3