3-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one IUPAC Name: 3-[1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-1-methyl-ethyl]-1,3-benzoxazol-2-one Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)N3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)N3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H28N4O5S/c1-16(24-17-8-4-5-9-18(17)29-20(24)26)19(25)21-12-14-23(15-13-21)30(27,28)22-10-6-2-3-7-11-22/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3