N-[2,2-bis(diethoxyphosphoryl)ethyl]-N-carbamimidoyl-3-methylsulfonyl-2-piperidin-4-yl-benzamide

Systemtic Name: N-[2,2-bis(diethoxyphosphoryl)ethyl]-N-carbamimidoyl-3-methylsulfonyl-2-piperidin-4-yl-benzamide Openeye Name: N-[2,2-bis(diethoxyphosphoryl)ethyl]-N-carbamimidoyl-3-methylsulfonyl-2-(4-piperidyl)benzamide CAS Name: N-[2,2-bis(diethoxyphosphoryl)ethyl]-N-carbamimidoyl-3-methylsulfonyl-2-(4-piperidinyl)benzamide IUPAC Name: N-[2,2-bis(diethoxyphosphoryl)ethyl]-N-carbamimidoyl-3-methylsulfonyl-2-piperidin-4-ylbenzamide Traditional Name: N-amidino-N-[2,2-bis(diethoxyphosphoryl)ethyl]-3-mesyl-2-(4-piperidyl)benzamide Formula: C24H42N4O9P2S MolecularWeight: 624.624202

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CN(C(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C2CCNCC2)C(=N)N)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CN(C(=O)C1=C(C(=CC=C1)S(=O)(=O)C)C2CCNCC2)C(=N)N)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C24H42N4O9P2S/c1-6-34-38(30,35-7-2)21(39(31,36-8-3)37-9-4)17-28(24(25)26)23(29)19-11-10-12-20(40(5,32)33)22(19)18-13-15-27-16-14-18/h10-12,18,21,27H,6-9,13-17H2,1-5H3,(H3,25,26)