N-[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide

Systemtic Name: N-[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: N-[4-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-4-oxo-butyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-[4-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-4-oxobutyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: N-[4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide Traditional Name: N-[4-[3-(1,3-benzoxazol-2-yl)piperidino]-4-keto-butyl]-N-methyl-thiophene-2-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CCCC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c1-23(30(26,27)20-11-6-14-29-20)12-5-10-19(25)24-13-4-7-16(15-24)21-22-17-8-2-3-9-18(17)28-21/h2-3,6,8-9,11,14,16H,4-5,7,10,12-13,15H2,1H3