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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(3-ethoxypropyl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(3-ethoxypropyl)benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-cyanoethyl)-N-(3-ethoxypropyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(3-ethoxypropyl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(3-ethoxypropyl)benzenesulfonamide Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCOCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H31N3O5S2/c1-2-28-18-8-17-23(16-7-13-21)30(26,27)20-11-9-19(10-12-20)29(24,25)22-14-5-3-4-6-15-22/h9-12H,2-8,14-18H2,1H3