3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-(4-methylpiperidino)sulfonyl-1,3-benzoxazol-2-one Formula: C21H29N3O5S MolecularWeight: 435.53706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N3O5S/c1-16-8-12-23(13-9-16)30(27,28)17-6-7-18-19(14-17)29-21(26)24(18)15-20(25)22-10-4-2-3-5-11-22/h6-7,14,16H,2-5,8-13,15H2,1H3