3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-(3,5-dimethylpiperidino)sulfonyl-1,3-benzoxazol-2-one Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C25H29N3O5S/c1-17-11-18(2)14-27(13-17)34(31,32)21-7-8-22-23(12-21)33-25(30)28(22)16-24(29)26-10-9-19-5-3-4-6-20(19)15-26/h3-8,12,17-18H,9-11,13-16H2,1-2H3