4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O6S/c1-12-17(13(2)29-20-12)30(27,28)22-7-3-6-21(8-9-22)11-15-5-4-14(18(19)24)10-16(15)23(25)26/h4-5,10H,3,6-9,11H2,1-2H3,(H2,19,24)