N-(2-cyanoethyl)-N-(3-ethoxypropyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(3-ethoxypropyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-(3-ethoxypropyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-(3-ethoxypropyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-(3-ethoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-(3-ethoxypropyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H27N3O5S2 MolecularWeight: 429.55408

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H27N3O5S2/c1-2-26-16-6-15-21(14-5-11-19)28(24,25)18-9-7-17(8-10-18)27(22,23)20-12-3-4-13-20/h7-10H,2-6,12-16H2,1H3