4-bromanyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-4-bromobenzenesulfonamide Traditional Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-4-bromo-benzenesulfonamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O3S/c22-19-7-9-20(10-8-19)29(27,28)23-12-11-21(26)25-14-4-13-24(15-16-25)17-18-5-2-1-3-6-18/h1-3,5-10,23H,4,11-17H2