N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]-6-keto-4-mesyl-1,2-dimethyl-piperazine-2-carboxamide Formula: C22H34N4O7S MolecularWeight: 498.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2(CN(CC(=O)N2C)S(=O)(=O)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CNC(=O)C2(CN(CC(=O)N2C)S(=O)(=O)C)C)OCC

InChI

InChI=1S/C22H34N4O7S/c1-6-32-17-9-8-16(12-18(17)33-7-2)10-11-23-19(27)13-24-21(29)22(3)15-26(34(5,30)31)14-20(28)25(22)4/h8-9,12H,6-7,10-11,13-15H2,1-5H3,(H,23,27)(H,24,29)