N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methylisoxazol-5-yl)benzenesulfonamide CAS Name: N-[3-(1-azepanyl)butyl]-2-methyl-5-(3-methyl-5-isoxazolyl)benzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)butyl]-2-methyl-5-(3-methylisoxazol-5-yl)benzenesulfonamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCCC(C)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCCC(C)N3CCCCCC3

InChI

InChI=1S/C21H31N3O3S/c1-16-8-9-19(20-14-17(2)23-27-20)15-21(16)28(25,26)22-11-10-18(3)24-12-6-4-5-7-13-24/h8-9,14-15,18,22H,4-7,10-13H2,1-3H3