N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3,5-dimethylisoxazol-4-yl)sulfonyl-methyl-amino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(3,5-dimethylisoxazol-4-yl)sulfonyl-methyl-amino]acetamide Formula: C21H30N4O6S2 MolecularWeight: 498.6161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(ON=C2C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=C(ON=C2C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N4O6S2/c1-15-9-10-18(13-19(15)32(27,28)25-11-7-5-6-8-12-25)22-20(26)14-24(4)33(29,30)21-16(2)23-31-17(21)3/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,22,26)