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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(5-methylisoxazol-3-yl)methyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(5-methyl-3-isoxazolyl)methyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]aniline Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[(5-methylisoxazol-3-yl)methyl]amine Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-14-12-16(19-23-14)13-18-15-6-8-17(9-7-15)24(21,22)20-10-4-2-3-5-11-20/h6-9,12,18H,2-5,10-11,13H2,1H3