[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H25N3O5S/c21-16(19-7-3-1-2-4-8-19)13-25-17(22)15-11-14(12-18-15)26(23,24)20-9-5-6-10-20/h11-12,18H,1-10,13H2