4-[4-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[5-[(3S)-1,2-dithiolan-3-yl]pentanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[5-[(3S)-dithiolan-3-yl]pentanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[5-[(3S)-3-dithiolanyl]-1-oxopentyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[5-[(3S)-dithiolan-3-yl]pentanoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[5-[(3S)-dithiolan-3-yl]pentanoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H28N4O4S3 MolecularWeight: 460.63432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CCCCC3CCSS3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CCCC[C@H]3CCSS3

InChI

InChI=1S/C18H28N4O4S3/c1-20-13-15(12-16(20)18(19)24)29(25,26)22-9-7-21(8-10-22)17(23)5-3-2-4-14-6-11-27-28-14/h12-14H,2-11H2,1H3,(H2,19,24)/t14-/m0/s1