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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-methyl-5-(3-methylisoxazol-5-yl)benzenesulfonamide CAS Name: N-[3-(1-azepanyl)propyl]-2-methyl-5-(3-methyl-5-isoxazolyl)benzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-methyl-5-(3-methylisoxazol-5-yl)benzenesulfonamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C20H29N3O3S/c1-16-8-9-18(19-14-17(2)22-26-19)15-20(16)27(24,25)21-10-7-13-23-11-5-3-4-6-12-23/h8-9,14-15,21H,3-7,10-13H2,1-2H3