3-[[(2-bromophenyl)-oxidanyl-methyl]amino]-N,N-diethyl-4-pyrrolidin-1-yl-benzenesulfonamide

Systemtic Name: 3-[[(2-bromophenyl)-oxidanyl-methyl]amino]-N,N-diethyl-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: 3-[[(2-bromophenyl)-hydroxy-methyl]amino]-N,N-diethyl-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: 3-[[(2-bromophenyl)-hydroxymethyl]amino]-N,N-diethyl-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: 3-[[(2-bromophenyl)-hydroxymethyl]amino]-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: 3-[[(2-bromophenyl)-hydroxy-methyl]amino]-N,N-diethyl-4-pyrrolidino-benzenesulfonamide Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(C3=CC=CC=C3Br)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(C3=CC=CC=C3Br)O

InChI

InChI=1S/C21H28BrN3O3S/c1-3-25(4-2)29(27,28)16-11-12-20(24-13-7-8-14-24)19(15-16)23-21(26)17-9-5-6-10-18(17)22/h5-6,9-12,15,21,23,26H,3-4,7-8,13-14H2,1-2H3