N-[2-[(4-butoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[2-[(4-butoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[2-[(4-butoxyphenyl)methylamino]-2-oxo-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-[2-[(4-butoxybenzyl)amino]-2-keto-ethyl]-6-keto-4-mesyl-1,2-dimethyl-piperazine-2-carboxamide Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)CNC(=O)C2(CN(CC(=O)N2C)S(=O)(=O)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)CNC(=O)C2(CN(CC(=O)N2C)S(=O)(=O)C)C

InChI

InChI=1S/C21H32N4O6S/c1-5-6-11-31-17-9-7-16(8-10-17)12-22-18(26)13-23-20(28)21(2)15-25(32(4,29)30)14-19(27)24(21)3/h7-10H,5-6,11-15H2,1-4H3,(H,22,26)(H,23,28)