4-(azepan-1-ylsulfonyl)-1-cyclopropyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(azepan-1-ylsulfonyl)-1-cyclopropyl-pyrrole-2-carboxylic acid Openeye Name: 4-(azepan-1-ylsulfonyl)-1-cyclopropyl-pyrrole-2-carboxylic acid CAS Name: 4-(1-azepanylsulfonyl)-1-cyclopropyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(azepan-1-ylsulfonyl)-1-cyclopropylpyrrole-2-carboxylic acid Traditional Name: 4-(azepan-1-ylsulfonyl)-1-cyclopropyl-pyrrole-2-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C3CC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C3CC3

InChI

InChI=1S/C14H20N2O4S/c17-14(18)13-9-12(10-16(13)11-5-6-11)21(19,20)15-7-3-1-2-4-8-15/h9-11H,1-8H2,(H,17,18)