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

Systemtic Name: N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-3-oxo-propyl]-4-bromo-benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-3-oxopropyl]-4-bromobenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-4-bromobenzenesulfonamide Traditional Name: N-[3-[4-(1,3-benzoxazol-2-yl)piperidino]-3-keto-propyl]-4-bromo-benzenesulfonamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCNS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CCNS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O4S/c22-16-5-7-17(8-6-16)30(27,28)23-12-9-20(26)25-13-10-15(11-14-25)21-24-18-3-1-2-4-19(18)29-21/h1-8,15,23H,9-14H2