2H-benzotriazol-5-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C17H20N6O4S/c1-11-16(12(2)27-20-11)28(25,26)23-7-3-6-22(8-9-23)17(24)13-4-5-14-15(10-13)19-21-18-14/h4-5,10H,3,6-9H2,1-2H3,(H,18,19,21)