4-bromanyl-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidino]-3-keto-propyl]benzenesulfonamide Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O5S/c1-28-16-7-10-18(20(14-16)29-2)19-4-3-13-24(19)21(25)11-12-23-30(26,27)17-8-5-15(22)6-9-17/h5-10,14,19,23H,3-4,11-13H2,1-2H3