4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-6-pyrrolidinosulfonyl-1,4-benzoxazin-3-one Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H29N3O5S/c1-15-9-16(2)12-22(11-15)20(25)13-24-18-10-17(5-6-19(18)29-14-21(24)26)30(27,28)23-7-3-4-8-23/h5-6,10,15-16H,3-4,7-9,11-14H2,1-2H3