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

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C20H27N3O4S/c1-4-18(17-9-6-5-7-10-17)20(24)22-11-8-12-23(14-13-22)28(25,26)19-15(2)21-27-16(19)3/h5-7,9-10,18H,4,8,11-14H2,1-3H3