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

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-phenyl-methanone Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O4S/c1-13-16(14(2)24-18-13)25(22,23)20-10-6-9-19(11-12-20)17(21)15-7-4-3-5-8-15/h3-5,7-8H,6,9-12H2,1-2H3