5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-(1-azepanylsulfonyl)-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)O

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CCCCCC2)C(=O)O

InChI

InChI=1S/C12H18N2O4S/c1-13-10(12(15)16)6-7-11(13)19(17,18)14-8-4-2-3-5-9-14/h6-7H,2-5,8-9H2,1H3,(H,15,16)