6-bromanyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-chromen-2-one Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]-6-bromo-chromen-2-one CAS Name: 6-bromo-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonyl-6-bromochromen-2-one Traditional Name: 3-(4-benzylpiperidino)sulfonyl-6-bromo-coumarin Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C21H20BrNO4S/c22-18-6-7-19-17(13-18)14-20(21(24)27-19)28(25,26)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2