N-[3-(azepan-1-yl)propyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxy-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)propyl]-5-(3,4-dimethylisoxazol-5-yl)-2-methoxy-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)propyl]-5-(3,4-dimethyl-5-isoxazolyl)-2-methoxybenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxybenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)propyl]-5-(3,4-dimethylisoxazol-5-yl)-2-methoxy-benzenesulfonamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)C2=CC(=C(C=C2)OC)S(=O)(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1=C(ON=C1C)C2=CC(=C(C=C2)OC)S(=O)(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-16-17(2)23-28-21(16)18-9-10-19(27-3)20(15-18)29(25,26)22-11-8-14-24-12-6-4-5-7-13-24/h9-10,15,22H,4-8,11-14H2,1-3H3