6-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Openeye Name: 6-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]-3-methyl-1,3-benzoxazol-2-one CAS Name: 6-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 6-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one Traditional Name: 6-[4-(azepan-1-ylmethyl)piperidino]sulfonyl-3-methyl-1,3-benzoxazol-2-one Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CN4CCCCCC4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CN4CCCCCC4)OC1=O

InChI

InChI=1S/C20H29N3O4S/c1-21-18-7-6-17(14-19(18)27-20(21)24)28(25,26)23-12-8-16(9-13-23)15-22-10-4-2-3-5-11-22/h6-7,14,16H,2-5,8-13,15H2,1H3