4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(azepan-1-ylsulfonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C16H27N5O5S2 MolecularWeight: 433.54608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H27N5O5S2/c1-18-13-14(12-15(18)16(17)22)27(23,24)19-8-10-21(11-9-19)28(25,26)20-6-4-2-3-5-7-20/h12-13H,2-11H2,1H3,(H2,17,22)