1-ethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-ethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrrole-2-carboxylic acid Openeye Name: 1-ethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrrole-2-carboxylic acid CAS Name: 1-ethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-ethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrrole-2-carboxylic acid Traditional Name: 1-ethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyrrole-2-carboxylic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCN(CC2)C

Isomeric SMILES

CCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCCN(CC2)C

InChI

InChI=1S/C13H21N3O4S/c1-3-15-10-11(9-12(15)13(17)18)21(19,20)16-6-4-5-14(2)7-8-16/h9-10H,3-8H2,1-2H3,(H,17,18)